N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine

C16H25BrN2 — CID 28717671

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N[C@H](C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-3-10-19-11-8-16(9-12-19)18-13(2)14-4-6-15(17)7-5-14/h4-7,13,16,18H,3,8-12H2,1-2H3/t13-/m1/s1
InChIKeyCNARKRWQKFMCAD-CYBMUJFWSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine

N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine (PubChem CID 28717671) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
PubChem CID28717671
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(N[C@H](C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-3-10-19-11-8-16(9-12-19)18-13(2)14-4-6-15(17)7-5-14/h4-7,13,16,18H,3,8-12H2,1-2H3/t13-/m1/s1
InChIKeyCNARKRWQKFMCAD-CYBMUJFWSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206713
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine
CID 43182992
[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43747865
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine (CID 28717671) is N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine is CCCN1CCC(N[C@H](C)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine?
The InChIKey is CNARKRWQKFMCAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-10-19-11-8-16(9-12-19)18-13(2)14-4-6-15(17)7-5-14/h4-7,13,16,18H,3,8-12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine?
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 28717671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).