(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine

C16H19Cl2N3 — CID 96575384

IUPAC(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H19Cl2N3/c1-20-9-7-19-16(20)12-4-3-8-21(10-12)11-13-14(17)5-2-6-15(13)18/h2,5-7,9,12H,3-4,8,10-11H2,1H3/t12-/m0/s1
InChIKeyCCOFNABVGBPSNE-LBPRGKRZSA-N
MW324.25 g/mol
LogP4.11
Rot. Bonds3

About (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine

(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine (PubChem CID 96575384) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
PubChem CID96575384
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC Name(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H19Cl2N3/c1-20-9-7-19-16(20)12-4-3-8-21(10-12)11-13-14(17)5-2-6-15(13)18/h2,5-7,9,12H,3-4,8,10-11H2,1H3/t12-/m0/s1
InChIKeyCCOFNABVGBPSNE-LBPRGKRZSA-N
XLogP4.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 96582179
1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77088238
5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 96577271
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
2-cyclopentyl-1-methylimidazole
CID 83382106
N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
CID 96576484

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine (CID 96575384) is (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine is Cn1ccnc1[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
The InChIKey is CCOFNABVGBPSNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-20-9-7-19-16(20)12-4-3-8-21(10-12)11-13-14(17)5-2-6-15(13)18/h2,5-7,9,12H,3-4,8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine has a molecular weight of 324.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 96575384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).