1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine

C16H25BrN2 — CID 55099655

IUPAC1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCC1CCCN(C)C1
InChIInChI=1S/C16H25BrN2/c1-13(10-14-5-7-16(17)8-6-14)18-11-15-4-3-9-19(2)12-15/h5-8,13,15,18H,3-4,9-12H2,1-2H3
InChIKeyAXQFBSJPAQKLSM-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine

1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine (PubChem CID 55099655) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
PubChem CID55099655
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCC1CCCN(C)C1
InChIInChI=1S/C16H25BrN2/c1-13(10-14-5-7-16(17)8-6-14)18-11-15-4-3-9-19(2)12-15/h5-8,13,15,18H,3-4,9-12H2,1-2H3
InChIKeyAXQFBSJPAQKLSM-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
CID 62658319
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 114829496
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
CID 115708864
(2R)-1-(4-methylphenyl)sulfonyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 99822457
4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 115494201

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine (CID 55099655) is 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine is CC(Cc1ccc(Br)cc1)NCC1CCCN(C)C1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine?
The InChIKey is AXQFBSJPAQKLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13(10-14-5-7-16(17)8-6-14)18-11-15-4-3-9-19(2)12-15/h5-8,13,15,18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine?
1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine has a molecular weight of 325.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 55099655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).