N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine

C16H25BrN2 — CID 63637762

IUPACN-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-3-11-19(14-7-6-10-18-12-14)13(2)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3
InChIKeyKXGKBRSZMBQSAZ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine

N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine (PubChem CID 63637762) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
PubChem CID63637762
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-3-11-19(14-7-6-10-18-12-14)13(2)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3
InChIKeyKXGKBRSZMBQSAZ-UHFFFAOYSA-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

4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636723
N-[1-(2-methoxy-5-methylphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636897
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
N-(1-phenylpropyl)-N-propylpiperidin-3-amine
CID 63638122
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine (CID 63637762) is N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine is CCCN(C1CCCNC1)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine?
The InChIKey is KXGKBRSZMBQSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-11-19(14-7-6-10-18-12-14)13(2)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine?
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-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-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63637762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).