N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

C20H31FN2O — CID 42392899

IUPACN-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCN(CC1CC1)CC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H31FN2O/c1-24-13-12-23(14-17-6-7-17)15-18-8-10-22(11-9-18)16-19-4-2-3-5-20(19)21/h2-5,17-18H,6-16H2,1H3
InChIKeyIVXFYDQUZOVQJM-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.40
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 42392899) has the molecular formula C20H31FN2O and a molecular weight of 334.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID42392899
Molecular FormulaC20H31FN2O
Molecular Weight334.48 g/mol
Exact Mass334.24
IUPAC NameN-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCN(CC1CC1)CC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H31FN2O/c1-24-13-12-23(14-17-6-7-17)15-18-8-10-22(11-9-18)16-19-4-2-3-5-20(19)21/h2-5,17-18H,6-16H2,1H3
InChIKeyIVXFYDQUZOVQJM-UHFFFAOYSA-N
XLogP3.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (CID 42392899) is N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is COCCN(CC1CC1)CC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is IVXFYDQUZOVQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O/c1-24-13-12-23(14-17-6-7-17)15-18-8-10-22(11-9-18)16-19-4-2-3-5-20(19)21/h2-5,17-18H,6-16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 334.48 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 42392899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).