3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine

C17H35N3 — CID 58786533

IUPAC3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine
SMILESCCN(CC)CC(CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H35N3/c1-3-19(4-2)15-17(20-12-10-18-11-13-20)14-16-8-6-5-7-9-16/h16-18H,3-15H2,1-2H3
InChIKeyHBBRTJUCWYCCBH-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds7

About 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine

3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 58786533) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine
PubChem CID58786533
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine
SMILESCCN(CC)CC(CC1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H35N3/c1-3-19(4-2)15-17(20-12-10-18-11-13-20)14-16-8-6-5-7-9-16/h16-18H,3-15H2,1-2H3
InChIKeyHBBRTJUCWYCCBH-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
CID 69431994
N-(3-cyclohexyl-2-piperazin-1-ylpropyl)methanesulfonamide
CID 58786445
N-cyclohexyl-N-ethylpiperazin-1-amine
CID 67700962
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
CID 171279366
cyclohexyl(piperazin-1-yl)methanamine
CID 116939842
N-(cyclohexylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255716
1-(1-cyclohexylsulfanylethyl)piperazine
CID 117035774
N,N-diethyl-2-piperazin-1-yl-2-pyridin-4-ylethanamine
CID 83980045
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
(2R)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067069
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine (CID 58786533) is 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine is CCN(CC)CC(CC1CCCCC1)N1CCNCC1.
What is the InChIKey of 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is HBBRTJUCWYCCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-19(4-2)15-17(20-12-10-18-11-13-20)14-16-8-6-5-7-9-16/h16-18H,3-15H2,1-2H3.
What are the key properties of 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine?
3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N,N-diethyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 58786533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).