ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C18H39N3 — CID 170616900

IUPACethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC.CC(C)N1CCC(CN2CCN(C)CC2(C)C)CC1
InChIInChI=1S/C16H33N3.C2H6/c1-14(2)18-8-6-15(7-9-18)12-19-11-10-17(5)13-16(19,3)4;1-2/h14-15H,6-13H2,1-5H3;1-2H3
InChIKeyRRNHIQNYNWBMDZ-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.16
Rot. Bonds3

About ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 170616900) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Nameethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID170616900
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Nameethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC.CC(C)N1CCC(CN2CCN(C)CC2(C)C)CC1
InChIInChI=1S/C16H33N3.C2H6/c1-14(2)18-8-6-15(7-9-18)12-19-11-10-17(5)13-16(19,3)4;1-2/h14-15H,6-13H2,1-5H3;1-2H3
InChIKeyRRNHIQNYNWBMDZ-UHFFFAOYSA-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

2,4,6-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616944
(4S)-3,3-difluoro-4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171598437
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 174291983
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
3-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176984317
2,2,4-trimethyl-1-propan-2-ylpiperazine
CID 121368614
1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952684
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 170616900) is ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC.CC(C)N1CCC(CN2CCN(C)CC2(C)C)CC1.
What is the InChIKey of ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is RRNHIQNYNWBMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3.C2H6/c1-14(2)18-8-6-15(7-9-18)12-19-11-10-17(5)13-16(19,3)4;1-2/h14-15H,6-13H2,1-5H3;1-2H3.
What are the key properties of ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine 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 ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 170616900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).