1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine

C16H24N2 — CID 117363499

IUPAC1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
SMILESCc1ccc(N2CCCCC2)c(CC2(N)CC2)c1
InChIInChI=1S/C16H24N2/c1-13-5-6-15(18-9-3-2-4-10-18)14(11-13)12-16(17)7-8-16/h5-6,11H,2-4,7-10,12,17H2,1H3
InChIKeyPZJHASQFJPRJRX-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.02
Rot. Bonds3

About 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine

1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117363499) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
PubChem CID117363499
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
SMILESCc1ccc(N2CCCCC2)c(CC2(N)CC2)c1
InChIInChI=1S/C16H24N2/c1-13-5-6-15(18-9-3-2-4-10-18)14(11-13)12-16(17)7-8-16/h5-6,11H,2-4,7-10,12,17H2,1H3
InChIKeyPZJHASQFJPRJRX-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine (CID 117363499) is 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine is Cc1ccc(N2CCCCC2)c(CC2(N)CC2)c1.
What is the InChIKey of 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is PZJHASQFJPRJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-5-6-15(18-9-3-2-4-10-18)14(11-13)12-16(17)7-8-16/h5-6,11H,2-4,7-10,12,17H2,1H3.
What are the key properties of 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine?
1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117363499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).