N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine

C17H26N2O — CID 62580078

IUPACN-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CN2CCCC(CNC3CC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-20-17-8-4-14(5-9-17)12-19-10-2-3-15(13-19)11-18-16-6-7-16/h4-5,8-9,15-16,18H,2-3,6-7,10-13H2,1H3
InChIKeyCUYKGZYUMCOZRC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine

N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 62580078) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
PubChem CID62580078
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESCOc1ccc(CN2CCCC(CNC3CC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-20-17-8-4-14(5-9-17)12-19-10-2-3-15(13-19)11-18-16-6-7-16/h4-5,8-9,15-16,18H,2-3,6-7,10-13H2,1H3
InChIKeyCUYKGZYUMCOZRC-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103038269
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine (CID 62580078) is N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine is COc1ccc(CN2CCCC(CNC3CC3)C2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is CUYKGZYUMCOZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-17-8-4-14(5-9-17)12-19-10-2-3-15(13-19)11-18-16-6-7-16/h4-5,8-9,15-16,18H,2-3,6-7,10-13H2,1H3.
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62580078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).