(2-piperidin-1-ylphenyl)methanamine

C12H18N2 — CID 2776509

IUPAC(2-piperidin-1-ylphenyl)methanamine
SMILESNCc1ccccc1N1CCCCC1
InChIInChI=1S/C12H18N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2
InChIKeyVNNYEXSABSADDW-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.14
Rot. Bonds2

About (2-piperidin-1-ylphenyl)methanamine

(2-piperidin-1-ylphenyl)methanamine (PubChem CID 2776509) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2-piperidin-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-piperidin-1-ylphenyl)methanamine
PubChem CID2776509
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2-piperidin-1-ylphenyl)methanamine
SMILESNCc1ccccc1N1CCCCC1
InChIInChI=1S/C12H18N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2
InChIKeyVNNYEXSABSADDW-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-ylphenyl)methanamine?
The IUPAC name of (2-piperidin-1-ylphenyl)methanamine (CID 2776509) is (2-piperidin-1-ylphenyl)methanamine.
What is the SMILES notation for (2-piperidin-1-ylphenyl)methanamine?
The canonical SMILES for (2-piperidin-1-ylphenyl)methanamine is NCc1ccccc1N1CCCCC1.
What is the InChIKey of (2-piperidin-1-ylphenyl)methanamine?
The InChIKey is VNNYEXSABSADDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2.
What are the key properties of (2-piperidin-1-ylphenyl)methanamine?
(2-piperidin-1-ylphenyl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ylphenyl)methanamine is sourced from PubChem (CID 2776509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).