1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine

C16H25ClN2O — CID 120838975

IUPAC1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCCOc1c(Cl)cccc1CN1CCC(CNC)CC1
InChIInChI=1S/C16H25ClN2O/c1-3-20-16-14(5-4-6-15(16)17)12-19-9-7-13(8-10-19)11-18-2/h4-6,13,18H,3,7-12H2,1-2H3
InChIKeyFASBCLVQHYUYTI-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.17
Rot. Bonds6

About 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 120838975) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID120838975
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCCOc1c(Cl)cccc1CN1CCC(CNC)CC1
InChIInChI=1S/C16H25ClN2O/c1-3-20-16-14(5-4-6-15(16)17)12-19-9-7-13(8-10-19)11-18-2/h4-6,13,18H,3,7-12H2,1-2H3
InChIKeyFASBCLVQHYUYTI-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
(3S)-1-[(3-chloro-2-ethoxyphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845844
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120841087
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922600
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709
N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 102856195

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine (CID 120838975) is 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine is CCOc1c(Cl)cccc1CN1CCC(CNC)CC1.
What is the InChIKey of 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is FASBCLVQHYUYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-20-16-14(5-4-6-15(16)17)12-19-9-7-13(8-10-19)11-18-2/h4-6,13,18H,3,7-12H2,1-2H3.
What are the key properties of 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 120838975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).