N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine

C16H23ClN2O — CID 102961538

IUPACN-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CCCN(c2cccc(Cl)c2CNC2CC2)C1
InChIInChI=1S/C16H23ClN2O/c1-20-13-4-3-9-19(11-13)16-6-2-5-15(17)14(16)10-18-12-7-8-12/h2,5-6,12-13,18H,3-4,7-11H2,1H3
InChIKeyQWLMKDUWGQRQIK-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.21
Rot. Bonds5

About N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 102961538) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID102961538
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCOC1CCCN(c2cccc(Cl)c2CNC2CC2)C1
InChIInChI=1S/C16H23ClN2O/c1-20-13-4-3-9-19(11-13)16-6-2-5-15(17)14(16)10-18-12-7-8-12/h2,5-6,12-13,18H,3-4,7-11H2,1H3
InChIKeyQWLMKDUWGQRQIK-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
N-[[2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961261
1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943203
2-chloro-6-(3-methoxypiperidin-1-yl)benzenecarbothioamide
CID 102958019
N-[[2-chloro-6-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 103535818
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63635865
1-[3-chloro-2-(chloromethyl)phenyl]-3-ethoxypiperidine
CID 54989891
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol
CID 63060772
2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 63787232
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine (CID 102961538) is N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine is COC1CCCN(c2cccc(Cl)c2CNC2CC2)C1.
What is the InChIKey of N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is QWLMKDUWGQRQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-20-13-4-3-9-19(11-13)16-6-2-5-15(17)14(16)10-18-12-7-8-12/h2,5-6,12-13,18H,3-4,7-11H2,1H3.
What are the key properties of N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 294.83 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102961538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).