1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine

C17H24N2 — CID 141068569

IUPAC1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2/c1-3-7-16(8-4-1)15-18-13-9-17(10-14-18)19-11-5-2-6-12-19/h1-5,7-8,17H,6,9-15H2
InChIKeyNLBVGOHRLRLDFQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.91
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine

1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 141068569) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID141068569
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2/c1-3-7-16(8-4-1)15-18-13-9-17(10-14-18)19-11-5-2-6-12-19/h1-5,7-8,17H,6,9-15H2
InChIKeyNLBVGOHRLRLDFQ-UHFFFAOYSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-cyclopropyl-3,6-dihydro-2H-pyridine
CID 45087168
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine (CID 141068569) is 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine is C1=CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is NLBVGOHRLRLDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-7-16(8-4-1)15-18-13-9-17(10-14-18)19-11-5-2-6-12-19/h1-5,7-8,17H,6,9-15H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine?
1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 256.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141068569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).