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

C24H27ClN2O2 — CID 40637375

IUPAC3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine
SMILESClc1ccc(OCCOCCN2CCCC[C@H]2c2cccnc2)c2ccccc12
InChIInChI=1S/C24H27ClN2O2/c25-22-10-11-24(21-8-2-1-7-20(21)22)29-17-16-28-15-14-27-13-4-3-9-23(27)19-6-5-12-26-18-19/h1-2,5-8,10-12,18,23H,3-4,9,13-17H2/t23-/m0/s1
InChIKeyXJRGGTBCZSMPKH-QHCPKHFHSA-N
MW410.95 g/mol
LogP5.51
Rot. Bonds8

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

3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine (PubChem CID 40637375) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine
PubChem CID40637375
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine
SMILESClc1ccc(OCCOCCN2CCCC[C@H]2c2cccnc2)c2ccccc12
InChIInChI=1S/C24H27ClN2O2/c25-22-10-11-24(21-8-2-1-7-20(21)22)29-17-16-28-15-14-27-13-4-3-9-23(27)19-6-5-12-26-18-19/h1-2,5-8,10-12,18,23H,3-4,9,13-17H2/t23-/m0/s1
InChIKeyXJRGGTBCZSMPKH-QHCPKHFHSA-N
XLogP5.51
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine
CID 40807655
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
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
1-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone;oxalic acid
CID 44667951
3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
CID 40637351
1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]-4-methylpiperazine
CID 30088160
diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
CID 7069814
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine (CID 40637375) is 3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine is Clc1ccc(OCCOCCN2CCCC[C@H]2c2cccnc2)c2ccccc12.
What is the InChIKey of 3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine?
The InChIKey is XJRGGTBCZSMPKH-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c25-22-10-11-24(21-8-2-1-7-20(21)22)29-17-16-28-15-14-27-13-4-3-9-23(27)19-6-5-12-26-18-19/h1-2,5-8,10-12,18,23H,3-4,9,13-17H2/t23-/m0/s1.
What are the key properties of 3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine?
3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine has a molecular weight of 410.95 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 40637375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).