1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine

C16H25ClN2 — CID 54866694

IUPAC1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN2/c1-16(2,3)19-9-7-15(8-10-19)18-12-13-5-4-6-14(17)11-13/h4-6,11,15,18H,7-10,12H2,1-3H3
InChIKeySNMMVMMXJXTOFD-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.69
Rot. Bonds3

About 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine

1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine (PubChem CID 54866694) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
PubChem CID54866694
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H25ClN2/c1-16(2,3)19-9-7-15(8-10-19)18-12-13-5-4-6-14(17)11-13/h4-6,11,15,18H,7-10,12H2,1-3H3
InChIKeySNMMVMMXJXTOFD-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
1-tert-butyl-N-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-amine
CID 114452693
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983
1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 103776736
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
tert-butyl N-[4-[(3-chlorophenyl)methylamino]cyclohexyl]carbamate
CID 86277390
1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
CID 54866682
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
CID 115904880
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine (CID 54866694) is 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine is CC(C)(C)N1CCC(NCc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine?
The InChIKey is SNMMVMMXJXTOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-16(2,3)19-9-7-15(8-10-19)18-12-13-5-4-6-14(17)11-13/h4-6,11,15,18H,7-10,12H2,1-3H3.
What are the key properties of 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine?
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine has a molecular weight of 280.84 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 54866694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).