N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

C18H24N2O — CID 80702786

IUPACN-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESc1ccc2c(CN(CC3CCNCC3)C3CC3)coc2c1
InChIInChI=1S/C18H24N2O/c1-2-4-18-17(3-1)15(13-21-18)12-20(16-5-6-16)11-14-7-9-19-10-8-14/h1-4,13-14,16,19H,5-12H2
InChIKeyTXCRELQSKHGDHN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.40
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine

N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 80702786) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID80702786
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESc1ccc2c(CN(CC3CCNCC3)C3CC3)coc2c1
InChIInChI=1S/C18H24N2O/c1-2-4-18-17(3-1)15(13-21-18)12-20(16-5-6-16)11-14-7-9-19-10-8-14/h1-4,13-14,16,19H,5-12H2
InChIKeyTXCRELQSKHGDHN-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 119930125
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
3-(1-benzofuran-3-ylmethyl)azetidine
CID 80700831
N-(1-benzofuran-3-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340176
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
CID 96555702
N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 112739771
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370
N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride
CID 119930116
1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one
CID 82908092

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 80702786) is N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is c1ccc2c(CN(CC3CCNCC3)C3CC3)coc2c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is TXCRELQSKHGDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-4-18-17(3-1)15(13-21-18)12-20(16-5-6-16)11-14-7-9-19-10-8-14/h1-4,13-14,16,19H,5-12H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 284.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 80702786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).