(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane

C18H39N3 — CID 170629504

IUPAC(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
SMILESCC.CC1CN(C(C)C)[C@H](C)CN1CC1CCN(C)CC1
InChIInChI=1S/C16H33N3.C2H6/c1-13(2)19-11-14(3)18(10-15(19)4)12-16-6-8-17(5)9-7-16;1-2/h13-16H,6-12H2,1-5H3;1-2H3/t14?,15-;/m1./s1
InChIKeyABHUJWCGCHGJIG-NUNOUFIPSA-N
MW297.53 g/mol
LogP3.16
Rot. Bonds3

About (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane

(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane (PubChem CID 170629504) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane.

Molecular Properties

Compound Name(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
PubChem CID170629504
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
SMILESCC.CC1CN(C(C)C)[C@H](C)CN1CC1CCN(C)CC1
InChIInChI=1S/C16H33N3.C2H6/c1-13(2)19-11-14(3)18(10-15(19)4)12-16-6-8-17(5)9-7-16;1-2/h13-16H,6-12H2,1-5H3;1-2H3/t14?,15-;/m1./s1
InChIKeyABHUJWCGCHGJIG-NUNOUFIPSA-N
XLogP3.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629635
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170616894
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165138024
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113252406
2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944
5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64936762
2,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane
CID 170616937
(3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167399026

Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane?
The IUPAC name of (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane (CID 170629504) is (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane.
What is the SMILES notation for (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane?
The canonical SMILES for (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane is CC.CC1CN(C(C)C)[C@H](C)CN1CC1CCN(C)CC1.
What is the InChIKey of (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane?
The InChIKey is ABHUJWCGCHGJIG-NUNOUFIPSA-N. The full InChI is InChI=1S/C16H33N3.C2H6/c1-13(2)19-11-14(3)18(10-15(19)4)12-16-6-8-17(5)9-7-16;1-2/h13-16H,6-12H2,1-5H3;1-2H3/t14?,15-;/m1./s1.
What are the key properties of (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane?
(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane has a molecular weight of 297.53 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane is sourced from PubChem (CID 170629504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).