(3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine

C23H24ClNO — CID 18645287

IUPAC(3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine
SMILESCN1CC[C@H](c2ccccc2)[C@@H](COc2ccc(Cl)c3ccccc23)C1
InChIInChI=1S/C23H24ClNO/c1-25-14-13-19(17-7-3-2-4-8-17)18(15-25)16-26-23-12-11-22(24)20-9-5-6-10-21(20)23/h2-12,18-19H,13-16H2,1H3/t18-,19-/m1/s1
InChIKeyOATCQWCGQRJXSW-RTBURBONSA-N
MW365.90 g/mol
LogP5.61
Rot. Bonds4

About (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine

(3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine (PubChem CID 18645287) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine
PubChem CID18645287
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name(3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine
SMILESCN1CC[C@H](c2ccccc2)[C@@H](COc2ccc(Cl)c3ccccc23)C1
InChIInChI=1S/C23H24ClNO/c1-25-14-13-19(17-7-3-2-4-8-17)18(15-25)16-26-23-12-11-22(24)20-9-5-6-10-21(20)23/h2-12,18-19H,13-16H2,1H3/t18-,19-/m1/s1
InChIKeyOATCQWCGQRJXSW-RTBURBONSA-N
XLogP5.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
CID 23196644
(3S)-1-methyl-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
CID 91340950
1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine
CID 70181617
3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine
CID 11301802
[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 22649568
[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl benzenesulfonate
CID 11371944
(3R,4S)-4-(3,4-dichlorophenyl)-1-methyl-3-(2-methylpropoxymethyl)piperidine
CID 10471808
[4-(3,4-dichlorophenyl)-1-methylpiperidin-3-yl]methanol
CID 10401105
1-methyl-3-phenylpiperidin-4-ol;hydrochloride
CID 70615066
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 95350250

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine?
The IUPAC name of (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine (CID 18645287) is (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine.
What is the SMILES notation for (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine?
The canonical SMILES for (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine is CN1CC[C@H](c2ccccc2)[C@@H](COc2ccc(Cl)c3ccccc23)C1.
What is the InChIKey of (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine?
The InChIKey is OATCQWCGQRJXSW-RTBURBONSA-N. The full InChI is InChI=1S/C23H24ClNO/c1-25-14-13-19(17-7-3-2-4-8-17)18(15-25)16-26-23-12-11-22(24)20-9-5-6-10-21(20)23/h2-12,18-19H,13-16H2,1H3/t18-,19-/m1/s1.
What are the key properties of (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine?
(3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine has a molecular weight of 365.90 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(4-chloronaphthalen-1-yl)oxymethyl]-1-methyl-4-phenylpiperidine is sourced from PubChem (CID 18645287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).