3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine

C19H30ClN — CID 114867310

IUPAC3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine
SMILESCC(C)CC1(CC(C)C)CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C19H30ClN/c1-14(2)11-19(12-15(3)4)9-10-21-13-18(19)16-5-7-17(20)8-6-16/h5-8,14-15,18,21H,9-13H2,1-4H3
InChIKeyZDMOWFMTTJWEHN-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.50
Rot. Bonds5

About 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine

3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine (PubChem CID 114867310) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine
PubChem CID114867310
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC Name3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine
SMILESCC(C)CC1(CC(C)C)CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C19H30ClN/c1-14(2)11-19(12-15(3)4)9-10-21-13-18(19)16-5-7-17(20)8-6-16/h5-8,14-15,18,21H,9-13H2,1-4H3
InChIKeyZDMOWFMTTJWEHN-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine
CID 79435538
5-(4-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79434527
4-methyl-4-(2-methylpropyl)-3-phenylpiperidine
CID 79311894
5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane
CID 79434074
5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79433150
6-(4-chlorophenyl)-2-thia-8-azaspiro[4.5]decane
CID 79435047
3-(3-chlorophenyl)-4,4-dipropylpiperidine
CID 79432544
11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane
CID 79434196
6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
CID 79913284
3'-(4-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
CID 82855837
3-(3-bromophenyl)-4-ethyl-4-(2-methylbutyl)piperidine
CID 79432294
4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine
CID 79439867

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine?
The IUPAC name of 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine (CID 114867310) is 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine.
What is the SMILES notation for 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine?
The canonical SMILES for 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine is CC(C)CC1(CC(C)C)CCNCC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine?
The InChIKey is ZDMOWFMTTJWEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-14(2)11-19(12-15(3)4)9-10-21-13-18(19)16-5-7-17(20)8-6-16/h5-8,14-15,18,21H,9-13H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine?
3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine has a molecular weight of 307.91 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,4-bis(2-methylpropyl)piperidine is sourced from PubChem (CID 114867310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).