1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine

C14H21BrN2 — CID 116906547

IUPAC1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
SMILESCN(C)C(c1ccc(Br)cc1)C1CCCNC1
InChIInChI=1S/C14H21BrN2/c1-17(2)14(12-4-3-9-16-10-12)11-5-7-13(15)8-6-11/h5-8,12,14,16H,3-4,9-10H2,1-2H3
InChIKeySJVDINVOXWJUEI-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.05
Rot. Bonds3

About 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine

1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine (PubChem CID 116906547) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
PubChem CID116906547
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
SMILESCN(C)C(c1ccc(Br)cc1)C1CCCNC1
InChIInChI=1S/C14H21BrN2/c1-17(2)14(12-4-3-9-16-10-12)11-5-7-13(15)8-6-11/h5-8,12,14,16H,3-4,9-10H2,1-2H3
InChIKeySJVDINVOXWJUEI-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N,N-dimethyl-1-pyrrolidin-3-ylmethanamine
CID 116906440
N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
CID 63641916
4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol
CID 116911196
N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
CID 116906601
N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
CID 83911736
5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116906426
(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
CID 166747896
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
4-(1-piperidin-3-ylethyl)phenol
CID 83908771
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)-1-pyrrolidin-3-ylmethanamine
CID 116906430

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine (CID 116906547) is 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine is CN(C)C(c1ccc(Br)cc1)C1CCCNC1.
What is the InChIKey of 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine?
The InChIKey is SJVDINVOXWJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-17(2)14(12-4-3-9-16-10-12)11-5-7-13(15)8-6-11/h5-8,12,14,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine?
1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 116906547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).