N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine

C15H25N3 — CID 62592660

IUPACN-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCc1ccc(N2CCC(CNC(C)C)CC2)nc1
InChIInChI=1S/C15H25N3/c1-12(2)16-11-14-6-8-18(9-7-14)15-5-4-13(3)10-17-15/h4-5,10,12,14,16H,6-9,11H2,1-3H3
InChIKeyGJTNGLSUQCHQQS-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.60
Rot. Bonds4

About N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine

N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 62592660) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID62592660
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCc1ccc(N2CCC(CNC(C)C)CC2)nc1
InChIInChI=1S/C15H25N3/c1-12(2)16-11-14-6-8-18(9-7-14)15-5-4-13(3)10-17-15/h4-5,10,12,14,16H,6-9,11H2,1-3H3
InChIKeyGJTNGLSUQCHQQS-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine (CID 62592660) is N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine is Cc1ccc(N2CCC(CNC(C)C)CC2)nc1.
What is the InChIKey of N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is GJTNGLSUQCHQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)16-11-14-6-8-18(9-7-14)15-5-4-13(3)10-17-15/h4-5,10,12,14,16H,6-9,11H2,1-3H3.
What are the key properties of N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine?
N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62592660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).