3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine

C23H25ClN2O — CID 40807655

IUPAC3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine
SMILESClc1ccc(OCCCN2CCCC[C@H]2c2cccnc2)c2ccccc12
InChIInChI=1S/C23H25ClN2O/c24-21-11-12-23(20-9-2-1-8-19(20)21)27-16-6-15-26-14-4-3-10-22(26)18-7-5-13-25-17-18/h1-2,5,7-9,11-13,17,22H,3-4,6,10,14-16H2/t22-/m0/s1
InChIKeyLBPIAAWOVWKQMR-QFIPXVFZSA-N
MW380.92 g/mol
LogP5.88
Rot. Bonds6

About 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine

3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine (PubChem CID 40807655) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine
PubChem CID40807655
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine
SMILESClc1ccc(OCCCN2CCCC[C@H]2c2cccnc2)c2ccccc12
InChIInChI=1S/C23H25ClN2O/c24-21-11-12-23(20-9-2-1-8-19(20)21)27-16-6-15-26-14-4-3-10-22(26)18-7-5-13-25-17-18/h1-2,5,7-9,11-13,17,22H,3-4,6,10,14-16H2/t22-/m0/s1
InChIKeyLBPIAAWOVWKQMR-QFIPXVFZSA-N
XLogP5.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine
CID 40637375
3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
CID 40637351
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine
CID 163152900
3-[1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]piperidin-2-yl]pyridine;oxalic acid
CID 44668223
3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine
CID 40805651
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
1-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone;oxalic acid
CID 44667951
3-[(2R)-1-[4-(3-nitrophenoxy)butyl]piperidin-2-yl]pyridine
CID 40637291
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine (CID 40807655) is 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine is Clc1ccc(OCCCN2CCCC[C@H]2c2cccnc2)c2ccccc12.
What is the InChIKey of 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine?
The InChIKey is LBPIAAWOVWKQMR-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25ClN2O/c24-21-11-12-23(20-9-2-1-8-19(20)21)27-16-6-15-26-14-4-3-10-22(26)18-7-5-13-25-17-18/h1-2,5,7-9,11-13,17,22H,3-4,6,10,14-16H2/t22-/m0/s1.
What are the key properties of 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine?
3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine has a molecular weight of 380.92 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 40807655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).