3-chloro-1-(naphthalen-1-ylmethyl)piperidine

C16H18ClN — CID 55182607

IUPAC3-chloro-1-(naphthalen-1-ylmethyl)piperidine
SMILESClC1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C16H18ClN/c17-15-8-4-10-18(12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15H,4,8,10-12H2
InChIKeyCZNOBKJTFLXPJH-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.04
Rot. Bonds2

About 3-chloro-1-(naphthalen-1-ylmethyl)piperidine

3-chloro-1-(naphthalen-1-ylmethyl)piperidine (PubChem CID 55182607) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 3-chloro-1-(naphthalen-1-ylmethyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-(naphthalen-1-ylmethyl)piperidine
PubChem CID55182607
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name3-chloro-1-(naphthalen-1-ylmethyl)piperidine
SMILESClC1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C16H18ClN/c17-15-8-4-10-18(12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15H,4,8,10-12H2
InChIKeyCZNOBKJTFLXPJH-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
(9aS)-2-(naphthalen-1-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 95053254
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107309973
3-bromo-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 80675511
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanamine
CID 63854447
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
CID 2838593
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(naphthalen-1-ylmethyl)piperidine?
The IUPAC name of 3-chloro-1-(naphthalen-1-ylmethyl)piperidine (CID 55182607) is 3-chloro-1-(naphthalen-1-ylmethyl)piperidine.
What is the SMILES notation for 3-chloro-1-(naphthalen-1-ylmethyl)piperidine?
The canonical SMILES for 3-chloro-1-(naphthalen-1-ylmethyl)piperidine is ClC1CCCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of 3-chloro-1-(naphthalen-1-ylmethyl)piperidine?
The InChIKey is CZNOBKJTFLXPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c17-15-8-4-10-18(12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15H,4,8,10-12H2.
What are the key properties of 3-chloro-1-(naphthalen-1-ylmethyl)piperidine?
3-chloro-1-(naphthalen-1-ylmethyl)piperidine has a molecular weight of 259.78 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(naphthalen-1-ylmethyl)piperidine is sourced from PubChem (CID 55182607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).