(2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine

C22H29ClN4 — CID 168679011

IUPAC(2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine
SMILESCN1CCN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H29ClN4/c1-25-14-15-27(21(17-25)16-18-5-7-19(23)8-6-18)20-9-12-26(13-10-20)22-4-2-3-11-24-22/h2-8,11,20-21H,9-10,12-17H2,1H3/t21-/m0/s1
InChIKeyFPZOUEGZKVMNEN-NRFANRHFSA-N
MW384.95 g/mol
LogP3.56
Rot. Bonds4

About (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine

(2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine (PubChem CID 168679011) has the molecular formula C22H29ClN4 and a molecular weight of 384.95 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine
PubChem CID168679011
Molecular FormulaC22H29ClN4
Molecular Weight384.95 g/mol
Exact Mass384.21
IUPAC Name(2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine
SMILESCN1CCN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H29ClN4/c1-25-14-15-27(21(17-25)16-18-5-7-19(23)8-6-18)20-9-12-26(13-10-20)22-4-2-3-11-24-22/h2-8,11,20-21H,9-10,12-17H2,1H3/t21-/m0/s1
InChIKeyFPZOUEGZKVMNEN-NRFANRHFSA-N
XLogP3.56
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(4-chlorophenyl)methyl]-2-cyclopropyl-1-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)piperazine
CID 170197918
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-propan-2-yl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
CID 168679034
[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)piperazin-2-yl]methanol;tetrahydrochloride
CID 169042677
5-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
CID 170198288
(3S,8aS)-3-[(4-chlorophenyl)methyl]-2-(1-pyridin-2-ylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 175938419
5-methyl-7-[(4-methylphenyl)methyl]-8-(1-pyridin-2-ylpiperidin-4-yl)-5,8-diazaspiro[3.5]nonane
CID 170200505
5-[4-[2-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157061141
4-[[(2S,5S)-5-[(4-chlorophenyl)methyl]-4-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]-1-methylpiperazin-2-yl]methyl]morpholine
CID 168678998
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine
CID 168679082
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
2-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-4-carboxylic acid
CID 168679072
N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine
CID 146074522

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine (CID 168679011) is (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine is CN1CCN(C2CCN(c3ccccn3)CC2)[C@@H](Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine?
The InChIKey is FPZOUEGZKVMNEN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29ClN4/c1-25-14-15-27(21(17-25)16-18-5-7-19(23)8-6-18)20-9-12-26(13-10-20)22-4-2-3-11-24-22/h2-8,11,20-21H,9-10,12-17H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine?
(2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine has a molecular weight of 384.95 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)methyl]-4-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 168679011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).