(1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine

C14H27N3 — CID 70299271

IUPAC(1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine
SMILESC=C([C@@H](NC)C1CCCCC1)N1CCNCC1
InChIInChI=1S/C14H27N3/c1-12(17-10-8-16-9-11-17)14(15-2)13-6-4-3-5-7-13/h13-16H,1,3-11H2,2H3/t14-/m1/s1
InChIKeyUTIXJRUIRVGHBV-CQSZACIVSA-N
MW237.39 g/mol
LogP1.57
Rot. Bonds4

About (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine

(1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine (PubChem CID 70299271) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine
PubChem CID70299271
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine
SMILESC=C([C@@H](NC)C1CCCCC1)N1CCNCC1
InChIInChI=1S/C14H27N3/c1-12(17-10-8-16-9-11-17)14(15-2)13-6-4-3-5-7-13/h13-16H,1,3-11H2,2H3/t14-/m1/s1
InChIKeyUTIXJRUIRVGHBV-CQSZACIVSA-N
XLogP1.57
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine?
The IUPAC name of (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine (CID 70299271) is (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine?
The canonical SMILES for (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine is C=C([C@@H](NC)C1CCCCC1)N1CCNCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine?
The InChIKey is UTIXJRUIRVGHBV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(17-10-8-16-9-11-17)14(15-2)13-6-4-3-5-7-13/h13-16H,1,3-11H2,2H3/t14-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine?
(1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine has a molecular weight of 237.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine is sourced from PubChem (CID 70299271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).