N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine

C17H26N2O — CID 62420771

IUPACN-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCOC1CCN(Cc2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-20-17-8-10-19(11-9-17)13-15-4-2-14(3-5-15)12-18-16-6-7-16/h2-5,16-18H,6-13H2,1H3
InChIKeyKAIYGNANCIXDOD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds6

About N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62420771) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62420771
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCOC1CCN(Cc2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-20-17-8-10-19(11-9-17)13-15-4-2-14(3-5-15)12-18-16-6-7-16/h2-5,16-18H,6-13H2,1H3
InChIKeyKAIYGNANCIXDOD-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62420584
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539708
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
N-[[3-bromo-4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539667
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970577
N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine
CID 105346947
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62437838
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 114540058
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 62420771) is N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine is COC1CCN(Cc2ccc(CNC3CC3)cc2)CC1.
What is the InChIKey of N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is KAIYGNANCIXDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-17-8-10-19(11-9-17)13-15-4-2-14(3-5-15)12-18-16-6-7-16/h2-5,16-18H,6-13H2,1H3.
What are the key properties of N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62420771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).