N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine

C18H28N2O — CID 102968242

IUPACN-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
SMILESCOC1CCCN(Cc2ccc(CCNC3CC3)cc2)C1
InChIInChI=1S/C18H28N2O/c1-21-18-3-2-12-20(14-18)13-16-6-4-15(5-7-16)10-11-19-17-8-9-17/h4-7,17-19H,2-3,8-14H2,1H3
InChIKeyORWQDGMWXPYKSM-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.59
Rot. Bonds7

About N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine

N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 102968242) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
PubChem CID102968242
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
SMILESCOC1CCCN(Cc2ccc(CCNC3CC3)cc2)C1
InChIInChI=1S/C18H28N2O/c1-21-18-3-2-12-20(14-18)13-16-6-4-15(5-7-16)10-11-19-17-8-9-17/h4-7,17-19H,2-3,8-14H2,1H3
InChIKeyORWQDGMWXPYKSM-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217694
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
tert-butyl N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 123896441
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373
3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964608
N-[2-[4-[(2-ethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 105347010
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539708

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine (CID 102968242) is N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine is COC1CCCN(Cc2ccc(CCNC3CC3)cc2)C1.
What is the InChIKey of N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is ORWQDGMWXPYKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-18-3-2-12-20(14-18)13-16-6-4-15(5-7-16)10-11-19-17-8-9-17/h4-7,17-19H,2-3,8-14H2,1H3.
What are the key properties of N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 288.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 102968242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).