3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine

C16H25ClN2 — CID 83983238

IUPAC3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2/c1-13(11-18)10-14-6-8-19(9-7-14)12-15-2-4-16(17)5-3-15/h2-5,13-14H,6-12,18H2,1H3
InChIKeyGVIOJQRNBIEMSG-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.54
Rot. Bonds5

About 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine (PubChem CID 83983238) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
PubChem CID83983238
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2/c1-13(11-18)10-14-6-8-19(9-7-14)12-15-2-4-16(17)5-3-15/h2-5,13-14H,6-12,18H2,1H3
InChIKeyGVIOJQRNBIEMSG-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983268
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983298
3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983377
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981422
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]butanoic acid
CID 83983234
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pentan-3-amine
CID 83983242
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
4-bromo-1-[(4-chlorophenyl)methyl]piperidine
CID 80679127

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine (CID 83983238) is 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine is CC(CN)CC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
The InChIKey is GVIOJQRNBIEMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13(11-18)10-14-6-8-19(9-7-14)12-15-2-4-16(17)5-3-15/h2-5,13-14H,6-12,18H2,1H3.
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 83983238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).