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

C16H27N3 — CID 62593726

IUPAC2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCc1ccnc(N2CCC(CNCC(C)C)CC2)c1
InChIInChI=1S/C16H27N3/c1-13(2)11-17-12-15-5-8-19(9-6-15)16-10-14(3)4-7-18-16/h4,7,10,13,15,17H,5-6,8-9,11-12H2,1-3H3
InChIKeyROKHUBUVUWKERQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.85
Rot. Bonds5

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

2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 62593726) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID62593726
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCc1ccnc(N2CCC(CNCC(C)C)CC2)c1
InChIInChI=1S/C16H27N3/c1-13(2)11-17-12-15-5-8-19(9-6-15)16-10-14(3)4-7-18-16/h4,7,10,13,15,17H,5-6,8-9,11-12H2,1-3H3
InChIKeyROKHUBUVUWKERQ-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine (CID 62593726) is 2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine is Cc1ccnc(N2CCC(CNCC(C)C)CC2)c1.
What is the InChIKey of 2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is ROKHUBUVUWKERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)11-17-12-15-5-8-19(9-6-15)16-10-14(3)4-7-18-16/h4,7,10,13,15,17H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62593726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).