N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine

C17H25N3 — CID 43675354

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESC1=CCC(CNC2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C17H25N3/c1-2-6-15(7-3-1)14-19-16-9-12-20(13-10-16)17-8-4-5-11-18-17/h1-2,4-5,8,11,15-16,19H,3,6-7,9-10,12-14H2
InChIKeyQFYOOYZRZXUIBW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.00
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine

N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 43675354) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
PubChem CID43675354
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESC1=CCC(CNC2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C17H25N3/c1-2-6-15(7-3-1)14-19-16-9-12-20(13-10-16)17-8-4-5-11-18-17/h1-2,4-5,8,11,15-16,19H,3,6-7,9-10,12-14H2
InChIKeyQFYOOYZRZXUIBW-UHFFFAOYSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine (CID 43675354) is N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine is C1=CCC(CNC2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is QFYOOYZRZXUIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-6-15(7-3-1)14-19-16-9-12-20(13-10-16)17-8-4-5-11-18-17/h1-2,4-5,8,11,15-16,19H,3,6-7,9-10,12-14H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 43675354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).