N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine

C17H26N2O — CID 63972921

IUPACN-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
SMILESCOCC1CCN(c2ccccc2CNC2CC2)CC1
InChIInChI=1S/C17H26N2O/c1-20-13-14-8-10-19(11-9-14)17-5-3-2-4-15(17)12-18-16-6-7-16/h2-5,14,16,18H,6-13H2,1H3
InChIKeyNNOZEHAWTGNHCC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds6

About N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine

N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine (PubChem CID 63972921) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
PubChem CID63972921
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
SMILESCOCC1CCN(c2ccccc2CNC2CC2)CC1
InChIInChI=1S/C17H26N2O/c1-20-13-14-8-10-19(11-9-14)17-5-3-2-4-15(17)12-18-16-6-7-16/h2-5,14,16,18H,6-13H2,1H3
InChIKeyNNOZEHAWTGNHCC-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535965
N-[[4-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanamine
CID 64597589
N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine
CID 43281422
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine
CID 63980496
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
1-[4-chloro-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylmethanamine
CID 114851558
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
4-[(2-morpholin-4-ylphenyl)methylamino]cyclohexan-1-ol
CID 110928598
1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol
CID 61434347
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83189314
N-[[4-chloro-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]propan-1-amine
CID 114851547

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine (CID 63972921) is N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine is COCC1CCN(c2ccccc2CNC2CC2)CC1.
What is the InChIKey of N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine?
The InChIKey is NNOZEHAWTGNHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-13-14-8-10-19(11-9-14)17-5-3-2-4-15(17)12-18-16-6-7-16/h2-5,14,16,18H,6-13H2,1H3.
What are the key properties of N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine?
N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63972921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).