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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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).