N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine

C14H21BrN2 — CID 63641916

IUPACN-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
SMILESCC(c1ccc(Br)cc1)N(C)C1CCCNC1
InChIInChI=1S/C14H21BrN2/c1-11(12-5-7-13(15)8-6-12)17(2)14-4-3-9-16-10-14/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeyWOSMAZFNBCYFJS-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.19
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine

N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine (PubChem CID 63641916) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
PubChem CID63641916
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
SMILESCC(c1ccc(Br)cc1)N(C)C1CCCNC1
InChIInChI=1S/C14H21BrN2/c1-11(12-5-7-13(15)8-6-12)17(2)14-4-3-9-16-10-14/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeyWOSMAZFNBCYFJS-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine
CID 63644044
N-methyl-N-[1-(4-phenylphenyl)ethyl]pyrrolidin-3-amine
CID 63297346
(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502
N-[1-(3-bromophenyl)ethyl]-N-methylazepan-4-amine
CID 107172110
(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride
CID 71637497
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172117
1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
CID 116906547
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637504
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine (CID 63641916) is N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine is CC(c1ccc(Br)cc1)N(C)C1CCCNC1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine?
The InChIKey is WOSMAZFNBCYFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11(12-5-7-13(15)8-6-12)17(2)14-4-3-9-16-10-14/h5-8,11,14,16H,3-4,9-10H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine?
N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine has a molecular weight of 297.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 63641916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).