1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine

C18H29BrN2 — CID 79060487

IUPAC1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
SMILESCCC(C)(C(Cc1ccc(Br)cc1)NC)N1CCCCC1
InChIInChI=1S/C18H29BrN2/c1-4-18(2,21-12-6-5-7-13-21)17(20-3)14-15-8-10-16(19)11-9-15/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyJIIPLRIZTDASQS-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine

1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine (PubChem CID 79060487) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
PubChem CID79060487
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
SMILESCCC(C)(C(Cc1ccc(Br)cc1)NC)N1CCCCC1
InChIInChI=1S/C18H29BrN2/c1-4-18(2,21-12-6-5-7-13-21)17(20-3)14-15-8-10-16(19)11-9-15/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyJIIPLRIZTDASQS-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059308
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 104802967
N,3-dimethyl-1-(1-methylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79068880
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
N,3-dimethyl-3-piperidin-1-yl-1-thiophen-2-ylpentan-2-amine
CID 79065597
1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068652
N,3,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79065446
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
CID 104802978
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060075
[1-(5-bromo-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241024

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine (CID 79060487) is 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine is CCC(C)(C(Cc1ccc(Br)cc1)NC)N1CCCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine?
The InChIKey is JIIPLRIZTDASQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-18(2,21-12-6-5-7-13-21)17(20-3)14-15-8-10-16(19)11-9-15/h8-11,17,20H,4-7,12-14H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine?
1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine has a molecular weight of 353.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine is sourced from PubChem (CID 79060487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).