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

C16H27N3 — CID 62593015

IUPAC2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCc1ccc(N2CCC(CNC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H27N3/c1-13-5-6-15(17-11-13)19-9-7-14(8-10-19)12-18-16(2,3)4/h5-6,11,14,18H,7-10,12H2,1-4H3
InChIKeyMNNIYBCIDXMLFJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.99
Rot. Bonds3

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

2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 62593015) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID62593015
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCc1ccc(N2CCC(CNC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H27N3/c1-13-5-6-15(17-11-13)19-9-7-14(8-10-19)12-18-16(2,3)4/h5-6,11,14,18H,7-10,12H2,1-4H3
InChIKeyMNNIYBCIDXMLFJ-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.99
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-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine (CID 62593015) is 2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine is Cc1ccc(N2CCC(CNC(C)(C)C)CC2)nc1.
What is the InChIKey of 2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is MNNIYBCIDXMLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-5-6-15(17-11-13)19-9-7-14(8-10-19)12-18-16(2,3)4/h5-6,11,14,18H,7-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62593015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).