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

C14H22BrClN2 — CID 119925286

IUPAC1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(C(C)c2ccc(Br)cc2)CCC1N.Cl
InChIInChI=1S/C14H21BrN2.ClH/c1-10-9-17(8-7-14(10)16)11(2)12-3-5-13(15)6-4-12;/h3-6,10-11,14H,7-9,16H2,1-2H3;1H
InChIKeyYBBPIQRGYFIRHJ-UHFFFAOYSA-N
MW333.70 g/mol
LogP3.60
Rot. Bonds2

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

1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 119925286) has the molecular formula C14H22BrClN2 and a molecular weight of 333.70 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
PubChem CID119925286
Molecular FormulaC14H22BrClN2
Molecular Weight333.70 g/mol
Exact Mass332.07
IUPAC Name1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(C(C)c2ccc(Br)cc2)CCC1N.Cl
InChIInChI=1S/C14H21BrN2.ClH/c1-10-9-17(8-7-14(10)16)11(2)12-3-5-13(15)6-4-12;/h3-6,10-11,14H,7-9,16H2,1-2H3;1H
InChIKeyYBBPIQRGYFIRHJ-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.70
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride (CID 119925286) is 1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride is CC1CN(C(C)c2ccc(Br)cc2)CCC1N.Cl.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is YBBPIQRGYFIRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2.ClH/c1-10-9-17(8-7-14(10)16)11(2)12-3-5-13(15)6-4-12;/h3-6,10-11,14H,7-9,16H2,1-2H3;1H.
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride?
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 333.70 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119925286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).