(2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine

C73H156N10 — CID 159343779

IUPAC(2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine
SMILESCC(C)CCCN1CCN(C(C)C)CC1.CC(C)CCCN1C[C@@H](C)N(C(C)C)C[C@@H]1C.CC(C)CCCN1C[C@@H](C)N(C(C)C)C[C@H]1C.CC(C)CCCN1C[C@H](C)N(C(C)C)C[C@@H]1C.CC(C)CCCN1C[C@H](C)N(C(C)C)C[C@H]1C
InChIInChI=1S/4C15H32N2.C13H28N2/c4*1-12(2)8-7-9-16-10-15(6)17(13(3)4)11-14(16)5;1-12(2)6-5-7-14-8-10-15(11-9-14)13(3)4/h4*12-15H,7-11H2,1-6H3;12-13H,5-11H2,1-4H3/t2*14-,15+;2*14-,15-;/m1010./s1
InChIKeyLGLQDGVOSFHCLS-WDQUBILYSA-N
MW1174.12 g/mol
LogP15.35
Rot. Bonds25

About (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine

(2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine (PubChem CID 159343779) has the molecular formula C73H156N10 and a molecular weight of 1174.12 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine
PubChem CID159343779
Molecular FormulaC73H156N10
Molecular Weight1174.12 g/mol
Exact Mass1173.25
IUPAC Name(2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine
SMILESCC(C)CCCN1CCN(C(C)C)CC1.CC(C)CCCN1C[C@@H](C)N(C(C)C)C[C@@H]1C.CC(C)CCCN1C[C@@H](C)N(C(C)C)C[C@H]1C.CC(C)CCCN1C[C@H](C)N(C(C)C)C[C@@H]1C.CC(C)CCCN1C[C@H](C)N(C(C)C)C[C@H]1C
InChIInChI=1S/4C15H32N2.C13H28N2/c4*1-12(2)8-7-9-16-10-15(6)17(13(3)4)11-14(16)5;1-12(2)6-5-7-14-8-10-15(11-9-14)13(3)4/h4*12-15H,7-11H2,1-6H3;12-13H,5-11H2,1-4H3/t2*14-,15+;2*14-,15-;/m1010./s1
InChIKeyLGLQDGVOSFHCLS-WDQUBILYSA-N
XLogP15.35
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.12
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine with MolForge

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Related Compounds

1,4-Bis[2-[4-(1-piperidyl)-1-piperidyl]ethyl]piperazine
CID 455465
1-Azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane
CID 19351690
1-[5-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)pentyl]-4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octane
CID 21364713
3-(1-Azoniabicyclo[2.2.2]octan-1-yl)-1-azabicyclo[2.2.2]octane
CID 54149094
1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
1-Hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831551
1,4-Diazabicyclo[2.2.2]octane;2-pentyl-1,4-diazabicyclo[2.2.2]octane
CID 66810183
1-Methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-tert-butyl-4-[1-[4-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,4-trimethylpentyl]piperidin-4-yl]piperazine
CID 134582770
1-Methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine
CID 135279336
1-Methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine
CID 142839665
(2R,6S)-1-tert-butyl-2-[2-[1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-[5-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]-6-methylpiperazine
CID 146549605

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine?
The IUPAC name of (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine (CID 159343779) is (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine?
The canonical SMILES for (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine is CC(C)CCCN1CCN(C(C)C)CC1.CC(C)CCCN1C[C@@H](C)N(C(C)C)C[C@@H]1C.CC(C)CCCN1C[C@@H](C)N(C(C)C)C[C@H]1C.CC(C)CCCN1C[C@H](C)N(C(C)C)C[C@@H]1C.CC(C)CCCN1C[C@H](C)N(C(C)C)C[C@H]1C.
What is the InChIKey of (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine?
The InChIKey is LGLQDGVOSFHCLS-WDQUBILYSA-N. The full InChI is InChI=1S/4C15H32N2.C13H28N2/c4*1-12(2)8-7-9-16-10-15(6)17(13(3)4)11-14(16)5;1-12(2)6-5-7-14-8-10-15(11-9-14)13(3)4/h4*12-15H,7-11H2,1-6H3;12-13H,5-11H2,1-4H3/t2*14-,15+;2*14-,15-;/m1010./s1.
What are the key properties of (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine?
(2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine has a molecular weight of 1174.12 g/mol, XLogP of 15.35, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 159343779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).