1-benzyl-4-(4-bromophenyl)piperidin-4-amine

C18H21BrN2 — CID 72698436

IUPAC1-benzyl-4-(4-bromophenyl)piperidin-4-amine
SMILESNC1(c2ccc(Br)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21BrN2/c19-17-8-6-16(7-9-17)18(20)10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9H,10-14,20H2
InChIKeyIZINXOZWOYVOGD-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.90
Rot. Bonds3

About 1-benzyl-4-(4-bromophenyl)piperidin-4-amine

1-benzyl-4-(4-bromophenyl)piperidin-4-amine (PubChem CID 72698436) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-benzyl-4-(4-bromophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-4-(4-bromophenyl)piperidin-4-amine
PubChem CID72698436
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-benzyl-4-(4-bromophenyl)piperidin-4-amine
SMILESNC1(c2ccc(Br)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21BrN2/c19-17-8-6-16(7-9-17)18(20)10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9H,10-14,20H2
InChIKeyIZINXOZWOYVOGD-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine
CID 174819017
1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793947
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(4-bromoanilino)piperidine-4-carbonitrile
CID 13364137
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
2-[1-benzyl-3-(4-bromophenyl)piperidin-3-yl]acetamide
CID 130407618
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
CID 164862876

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-bromophenyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-4-(4-bromophenyl)piperidin-4-amine (CID 72698436) is 1-benzyl-4-(4-bromophenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-4-(4-bromophenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-4-(4-bromophenyl)piperidin-4-amine is NC1(c2ccc(Br)cc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-bromophenyl)piperidin-4-amine?
The InChIKey is IZINXOZWOYVOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c19-17-8-6-16(7-9-17)18(20)10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9H,10-14,20H2.
What are the key properties of 1-benzyl-4-(4-bromophenyl)piperidin-4-amine?
1-benzyl-4-(4-bromophenyl)piperidin-4-amine has a molecular weight of 345.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-bromophenyl)piperidin-4-amine is sourced from PubChem (CID 72698436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).