N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine

C18H28ClFN2 — CID 60505494

IUPACN-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H28ClFN2/c1-3-4-10-21(2)13-15-8-11-22(12-9-15)14-16-17(19)6-5-7-18(16)20/h5-7,15H,3-4,8-14H2,1-2H3
InChIKeyWSVARVMJMZALRZ-UHFFFAOYSA-N
MW326.89 g/mol
LogP4.42
Rot. Bonds7

About N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine

N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 60505494) has the molecular formula C18H28ClFN2 and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID60505494
Molecular FormulaC18H28ClFN2
Molecular Weight326.89 g/mol
Exact Mass326.19
IUPAC NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H28ClFN2/c1-3-4-10-21(2)13-15-8-11-22(12-9-15)14-16-17(19)6-5-7-18(16)20/h5-7,15H,3-4,8-14H2,1-2H3
InChIKeyWSVARVMJMZALRZ-UHFFFAOYSA-N
XLogP4.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171336100
3-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 111381510
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 60543116
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60505113
3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide
CID 87014882
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(3,4-difluorophenyl)ethanol
CID 110898682
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine (CID 60505494) is N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)CC1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is WSVARVMJMZALRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClFN2/c1-3-4-10-21(2)13-15-8-11-22(12-9-15)14-16-17(19)6-5-7-18(16)20/h5-7,15H,3-4,8-14H2,1-2H3.
What are the key properties of N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine?
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 326.89 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 60505494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).