2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine

C16H27N3 — CID 62593458

IUPAC2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H27N3/c1-16(2,3)18-12-14-6-9-19(10-7-14)13-15-5-4-8-17-11-15/h4-5,8,11,14,18H,6-7,9-10,12-13H2,1-3H3
InChIKeyIKBNMDSDHSTYTN-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds4

About 2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 62593458) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID62593458
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H27N3/c1-16(2,3)18-12-14-6-9-19(10-7-14)13-15-5-4-8-17-11-15/h4-5,8,11,14,18H,6-7,9-10,12-13H2,1-3H3
InChIKeyIKBNMDSDHSTYTN-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
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-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine (CID 62593458) is 2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is IKBNMDSDHSTYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2,3)18-12-14-6-9-19(10-7-14)13-15-5-4-8-17-11-15/h4-5,8,11,14,18H,6-7,9-10,12-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62593458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).