2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol

C15H25N3O — CID 103181949

IUPAC2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol
SMILESCc1cnc(CN2CCCCC2CCO)c(C)c1N
InChIInChI=1S/C15H25N3O/c1-11-9-17-14(12(2)15(11)16)10-18-7-4-3-5-13(18)6-8-19/h9,13,19H,3-8,10H2,1-2H3,(H2,16,17)
InChIKeyKXUSHNQFBMKFGU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.02
Rot. Bonds4

About 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol

2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol (PubChem CID 103181949) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol
PubChem CID103181949
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol
SMILESCc1cnc(CN2CCCCC2CCO)c(C)c1N
InChIInChI=1S/C15H25N3O/c1-11-9-17-14(12(2)15(11)16)10-18-7-4-3-5-13(18)6-8-19/h9,13,19H,3-8,10H2,1-2H3,(H2,16,17)
InChIKeyKXUSHNQFBMKFGU-UHFFFAOYSA-N
XLogP2.02
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol (CID 103181949) is 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol is Cc1cnc(CN2CCCCC2CCO)c(C)c1N.
What is the InChIKey of 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is KXUSHNQFBMKFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-9-17-14(12(2)15(11)16)10-18-7-4-3-5-13(18)6-8-19/h9,13,19H,3-8,10H2,1-2H3,(H2,16,17).
What are the key properties of 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol?
2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 103181949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).