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

C16H26N2O2 — CID 103655825

IUPAC1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
SMILESCOc1c(C)cnc(CN2CCC(C(C)O)CC2)c1C
InChIInChI=1S/C16H26N2O2/c1-11-9-17-15(12(2)16(11)20-4)10-18-7-5-14(6-8-18)13(3)19/h9,13-14,19H,5-8,10H2,1-4H3
InChIKeyNKUHPMFVVWEJTA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds4

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

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol (PubChem CID 103655825) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
PubChem CID103655825
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
SMILESCOc1c(C)cnc(CN2CCC(C(C)O)CC2)c1C
InChIInChI=1S/C16H26N2O2/c1-11-9-17-15(12(2)16(11)20-4)10-18-7-5-14(6-8-18)13(3)19/h9,13-14,19H,5-8,10H2,1-4H3
InChIKeyNKUHPMFVVWEJTA-UHFFFAOYSA-N
XLogP2.30
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol (CID 103655825) is 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol is COc1c(C)cnc(CN2CCC(C(C)O)CC2)c1C.
What is the InChIKey of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is NKUHPMFVVWEJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-9-17-15(12(2)16(11)20-4)10-18-7-5-14(6-8-18)13(3)19/h9,13-14,19H,5-8,10H2,1-4H3.
What are the key properties of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol?
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103655825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).