(1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine

C31H33ClN2 — CID 59178527

IUPAC(1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NCC1CN(Cc2ccccc2Cl)CCC1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C31H33ClN2/c1-23(28-16-9-14-25-12-5-7-15-30(25)28)33-20-27-22-34(21-26-13-6-8-17-31(26)32)19-18-29(27)24-10-3-2-4-11-24/h2-17,23,27,29,33H,18-22H2,1H3/t23-,27?,29?/m1/s1
InChIKeyMKDMYYDNZIARPY-FTPFQACPSA-N
MW469.07 g/mol
LogP7.45
Rot. Bonds7

About (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine

(1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 59178527) has the molecular formula C31H33ClN2 and a molecular weight of 469.07 g/mol. Its IUPAC name is (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID59178527
Molecular FormulaC31H33ClN2
Molecular Weight469.07 g/mol
Exact Mass468.23
IUPAC Name(1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NCC1CN(Cc2ccccc2Cl)CCC1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C31H33ClN2/c1-23(28-16-9-14-25-12-5-7-15-30(25)28)33-20-27-22-34(21-26-13-6-8-17-31(26)32)19-18-29(27)24-10-3-2-4-11-24/h2-17,23,27,29,33H,18-22H2,1H3/t23-,27?,29?/m1/s1
InChIKeyMKDMYYDNZIARPY-FTPFQACPSA-N
XLogP7.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.07
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 68913856
(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride
CID 68913855
(E)-4-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpiperidin-1-yl]-4-oxobut-2-enoic acid
CID 59178634
(3R)-3-methyl-5-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpiperidin-1-yl]-5-oxopentanoic acid
CID 59178554
(1R)-N-[(1-methylsulfonyl-4-phenylpyrrolidin-3-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 68915998
(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carboxylic acid
CID 68913794
5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 59178665
5-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carboxylic acid
CID 59178591
6-[(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidin-1-yl]hexanoic acid
CID 68912107
3,5-difluoro-4-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpiperidin-1-yl]benzoic acid;hydrochloride
CID 66906442
4-[[4-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpiperidin-1-yl]-4-oxobutanoyl]amino]benzoic acid
CID 59178652
3-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpiperidine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 59178585

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine (CID 59178527) is (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine is C[C@@H](NCC1CN(Cc2ccccc2Cl)CCC1c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is MKDMYYDNZIARPY-FTPFQACPSA-N. The full InChI is InChI=1S/C31H33ClN2/c1-23(28-16-9-14-25-12-5-7-15-30(25)28)33-20-27-22-34(21-26-13-6-8-17-31(26)32)19-18-29(27)24-10-3-2-4-11-24/h2-17,23,27,29,33H,18-22H2,1H3/t23-,27?,29?/m1/s1.
What are the key properties of (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 469.07 g/mol, XLogP of 7.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 59178527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).