N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine

C17H27BrN2 — CID 81044635

IUPACN-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
SMILESCC(CCN(C)Cc1ccccc1Br)C1CCCNC1
InChIInChI=1S/C17H27BrN2/c1-14(15-7-5-10-19-12-15)9-11-20(2)13-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,19H,5,7,9-13H2,1-2H3
InChIKeyUWHJVNQDRMKOGP-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.91
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine

N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine (PubChem CID 81044635) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
PubChem CID81044635
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
SMILESCC(CCN(C)Cc1ccccc1Br)C1CCCNC1
InChIInChI=1S/C17H27BrN2/c1-14(15-7-5-10-19-12-15)9-11-20(2)13-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,19H,5,7,9-13H2,1-2H3
InChIKeyUWHJVNQDRMKOGP-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974
N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
CID 81043704
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045714
N-(3-methoxypropyl)-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81045951
N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 66426648
3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline
CID 81045794
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 84606471
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 81048505
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828880
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine (CID 81044635) is N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine is CC(CCN(C)Cc1ccccc1Br)C1CCCNC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine?
The InChIKey is UWHJVNQDRMKOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-14(15-7-5-10-19-12-15)9-11-20(2)13-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,19H,5,7,9-13H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine?
N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine is sourced from PubChem (CID 81044635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).