(2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride

C18H28Cl2N2O — CID 126641936

IUPAC(2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride
SMILESCO[C@@H]1CCN(C2CCNCC2)[C@@H](Cc2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C18H27ClN2O.ClH/c1-22-18-8-11-21(16-6-9-20-10-7-16)17(13-18)12-14-2-4-15(19)5-3-14;/h2-5,16-18,20H,6-13H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyAOONNEHLWNWOIX-CJRXIRLBSA-N
MW359.34 g/mol
LogP3.54
Rot. Bonds4

About (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride

(2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride (PubChem CID 126641936) has the molecular formula C18H28Cl2N2O and a molecular weight of 359.34 g/mol. Its IUPAC name is (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride
PubChem CID126641936
Molecular FormulaC18H28Cl2N2O
Molecular Weight359.34 g/mol
Exact Mass358.16
IUPAC Name(2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride
SMILESCO[C@@H]1CCN(C2CCNCC2)[C@@H](Cc2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C18H27ClN2O.ClH/c1-22-18-8-11-21(16-6-9-20-10-7-16)17(13-18)12-14-2-4-15(19)5-3-14;/h2-5,16-18,20H,6-13H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyAOONNEHLWNWOIX-CJRXIRLBSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-benzyl-1-piperidin-4-ylpiperidin-4-yl) carbamate
CID 91604523
[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol
CID 126668161
[5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane
CID 155576987
3-[4-[2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 126669628
(4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine
CID 126669937
(2S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylsulfonyl-4-piperidin-4-ylpiperazine
CID 126670146
tert-butyl (4R)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine-1-carboxylate;(4R)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine;deuterio(fluoro)methane;methane;hydrochloride
CID 158123338
(7S,9aR)-7-[(4-chlorophenyl)methyl]-8-piperidin-4-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155765909
5-[(4-chlorophenyl)methyl]-2-(methylsulfinylmethyl)-4-piperidin-4-ylmorpholine;ethane
CID 155577029
(8aS)-3-[(4-chlorophenyl)methyl]-2-piperidin-4-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;tert-butyl 4-[(8aS)-3-[(4-chlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane
CID 157266073
(2S,4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidine
CID 126641906
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride?
The IUPAC name of (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride (CID 126641936) is (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride.
What is the SMILES notation for (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride?
The canonical SMILES for (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride is CO[C@@H]1CCN(C2CCNCC2)[C@@H](Cc2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride?
The InChIKey is AOONNEHLWNWOIX-CJRXIRLBSA-N. The full InChI is InChI=1S/C18H27ClN2O.ClH/c1-22-18-8-11-21(16-6-9-20-10-7-16)17(13-18)12-14-2-4-15(19)5-3-14;/h2-5,16-18,20H,6-13H2,1H3;1H/t17-,18+;/m0./s1.
What are the key properties of (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride?
(2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride has a molecular weight of 359.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride is sourced from PubChem (CID 126641936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).