1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

C14H21BrCl2N2 — CID 119922600

IUPAC1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2cc(Br)ccc2Cl)CC1.Cl
InChIInChI=1S/C14H20BrClN2.ClH/c1-17-9-11-4-6-18(7-5-11)10-12-8-13(15)2-3-14(12)16;/h2-3,8,11,17H,4-7,9-10H2,1H3;1H
InChIKeyQCVALIUTSAGONF-UHFFFAOYSA-N
MW368.15 g/mol
LogP3.96
Rot. Bonds4

About 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119922600) has the molecular formula C14H21BrCl2N2 and a molecular weight of 368.15 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID119922600
Molecular FormulaC14H21BrCl2N2
Molecular Weight368.15 g/mol
Exact Mass366.03
IUPAC Name1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2cc(Br)ccc2Cl)CC1.Cl
InChIInChI=1S/C14H20BrClN2.ClH/c1-17-9-11-4-6-18(7-5-11)10-12-8-13(15)2-3-14(12)16;/h2-3,8,11,17H,4-7,9-10H2,1H3;1H
InChIKeyQCVALIUTSAGONF-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine
CID 103815288
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63250772
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530
1-[(5-bromo-2-chlorophenyl)methyl]azetidine
CID 126992141
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
methyl 4-chloro-3-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzoate
CID 120838389
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
N-[(5-bromo-2-chlorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 103792951
1-[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120965928

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 119922600) is 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(Cc2cc(Br)ccc2Cl)CC1.Cl.
What is the InChIKey of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is QCVALIUTSAGONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2.ClH/c1-17-9-11-4-6-18(7-5-11)10-12-8-13(15)2-3-14(12)16;/h2-3,8,11,17H,4-7,9-10H2,1H3;1H.
What are the key properties of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 368.15 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119922600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).