N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine

C17H26N2 — CID 79889978

IUPACN-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2ccccc2C2CC2)CC1
InChIInChI=1S/C17H26N2/c1-19-10-8-14(9-11-19)12-18-13-16-4-2-3-5-17(16)15-6-7-15/h2-5,14-15,18H,6-13H2,1H3
InChIKeyANEMTLAXAQRYLK-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.00
Rot. Bonds5

About N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine

N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 79889978) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID79889978
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2ccccc2C2CC2)CC1
InChIInChI=1S/C17H26N2/c1-19-10-8-14(9-11-19)12-18-13-16-4-2-3-5-17(16)15-6-7-15/h2-5,14-15,18H,6-13H2,1H3
InChIKeyANEMTLAXAQRYLK-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine (CID 79889978) is N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CNCc2ccccc2C2CC2)CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is ANEMTLAXAQRYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-10-8-14(9-11-19)12-18-13-16-4-2-3-5-17(16)15-6-7-15/h2-5,14-15,18H,6-13H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 79889978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).