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

C17H27ClN2 — CID 60931192

IUPAC1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C(C)(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(14-5-7-15(18)8-6-14)19-16-9-11-20(12-10-16)17(2,3)4/h5-8,13,16,19H,9-12H2,1-4H3
InChIKeyKAYALNFRJNTQCO-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.25
Rot. Bonds3

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

1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine (PubChem CID 60931192) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
PubChem CID60931192
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C(C)(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(14-5-7-15(18)8-6-14)19-16-9-11-20(12-10-16)17(2,3)4/h5-8,13,16,19H,9-12H2,1-4H3
InChIKeyKAYALNFRJNTQCO-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 81353013
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
N-[(1R)-1-(4-chlorophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81352385
N-[1-(4-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981751
N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978841
1-tert-butyl-N-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 106757617

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine (CID 60931192) is 1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine is CC(NC1CCN(C(C)(C)C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine?
The InChIKey is KAYALNFRJNTQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(14-5-7-15(18)8-6-14)19-16-9-11-20(12-10-16)17(2,3)4/h5-8,13,16,19H,9-12H2,1-4H3.
What are the key properties of 1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine?
1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine has a molecular weight of 294.87 g/mol, XLogP of 4.25, 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-[1-(4-chlorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 60931192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).