ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine

C16H29N3 — CID 142410038

IUPACethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
SMILESCC.CNCC1CC(C)CN(c2ccc(C)cn2)C1
InChIInChI=1S/C14H23N3.C2H6/c1-11-4-5-14(16-7-11)17-9-12(2)6-13(10-17)8-15-3;1-2/h4-5,7,12-13,15H,6,8-10H2,1-3H3;1-2H3
InChIKeyNBPBVAZCDYUCSI-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.10
Rot. Bonds3

About ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine

ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine (PubChem CID 142410038) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
PubChem CID142410038
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Nameethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
SMILESCC.CNCC1CC(C)CN(c2ccc(C)cn2)C1
InChIInChI=1S/C14H23N3.C2H6/c1-11-4-5-14(16-7-11)17-9-12(2)6-13(10-17)8-15-3;1-2/h4-5,7,12-13,15H,6,8-10H2,1-3H3;1-2H3
InChIKeyNBPBVAZCDYUCSI-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine?
The IUPAC name of ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine (CID 142410038) is ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine.
What is the SMILES notation for ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine?
The canonical SMILES for ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine is CC.CNCC1CC(C)CN(c2ccc(C)cn2)C1.
What is the InChIKey of ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine?
The InChIKey is NBPBVAZCDYUCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C2H6/c1-11-4-5-14(16-7-11)17-9-12(2)6-13(10-17)8-15-3;1-2/h4-5,7,12-13,15H,6,8-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine?
ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[5-methyl-1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 142410038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).