N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine

C16H25BrN2 — CID 54937659

IUPACN-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCN1CCC(C(C)NCc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-3-19-10-8-15(9-11-19)13(2)18-12-14-4-6-16(17)7-5-14/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyVOVCDYRRWOCPOO-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.66
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine

N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine (PubChem CID 54937659) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
PubChem CID54937659
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCN1CCC(C(C)NCc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-3-19-10-8-15(9-11-19)13(2)18-12-14-4-6-16(17)7-5-14/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyVOVCDYRRWOCPOO-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43308024
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114331379
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897678
N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 60873909
1-(1-ethylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308376
1-(1-ethylpiperidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 55081497
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43307907
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine (CID 54937659) is N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine is CCN1CCC(C(C)NCc2ccc(Br)cc2)CC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The InChIKey is VOVCDYRRWOCPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-19-10-8-15(9-11-19)13(2)18-12-14-4-6-16(17)7-5-14/h4-7,13,15,18H,3,8-12H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine has a molecular weight of 325.29 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 54937659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).