[1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine

C12H22N2 — CID 126971345

IUPAC[1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC2CC=CC2)CC1
InChIInChI=1S/C12H22N2/c13-9-11-5-7-14(8-6-11)10-12-3-1-2-4-12/h1-2,11-12H,3-10,13H2
InChIKeyMXTIIYJKUJZDNU-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.62
Rot. Bonds3

About [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine

[1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine (PubChem CID 126971345) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine
PubChem CID126971345
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name[1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC2CC=CC2)CC1
InChIInChI=1S/C12H22N2/c13-9-11-5-7-14(8-6-11)10-12-3-1-2-4-12/h1-2,11-12H,3-10,13H2
InChIKeyMXTIIYJKUJZDNU-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohex-3-en-1-ylmethyl)piperazine
CID 3150600
1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 53407205
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine
CID 129055443
3-Piperidyl-1-butene
CID 54200468
3-Piperidyl-1,7-octadiene
CID 129809332
4-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
CID 79208238
[1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine
CID 143387135
2-[(2E)-Hex-2-EN-1-YL]-2,8-diazaspiro[4.5]decane
CID 56703340
4-(2-Piperidin-4-ylethenyl)piperidine
CID 5232813
4-[(E)-2-piperidin-4-ylethenyl]piperidine
CID 6309499
1-methyl-4-[(E)-prop-1-enyl]piperidine
CID 18686209

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine (CID 126971345) is [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine is NCC1CCN(CC2CC=CC2)CC1.
What is the InChIKey of [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine?
The InChIKey is MXTIIYJKUJZDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-9-11-5-7-14(8-6-11)10-12-3-1-2-4-12/h1-2,11-12H,3-10,13H2.
What are the key properties of [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine?
[1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine has a molecular weight of 194.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopent-3-en-1-ylmethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 126971345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).