1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol

C14H26N4O — CID 45181874

IUPAC1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESCC(C)CCN1CCC(n2cc(C(C)O)nn2)CC1
InChIInChI=1S/C14H26N4O/c1-11(2)4-7-17-8-5-13(6-9-17)18-10-14(12(3)19)15-16-18/h10-13,19H,4-9H2,1-3H3
InChIKeyXDPTYUMMDNFQTF-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.01
Rot. Bonds5

About 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol

1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 45181874) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID45181874
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESCC(C)CCN1CCC(n2cc(C(C)O)nn2)CC1
InChIInChI=1S/C14H26N4O/c1-11(2)4-7-17-8-5-13(6-9-17)18-10-14(12(3)19)15-16-18/h10-13,19H,4-9H2,1-3H3
InChIKeyXDPTYUMMDNFQTF-UHFFFAOYSA-N
XLogP2.01
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol (CID 45181874) is 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol is CC(C)CCN1CCC(n2cc(C(C)O)nn2)CC1.
What is the InChIKey of 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is XDPTYUMMDNFQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)4-7-17-8-5-13(6-9-17)18-10-14(12(3)19)15-16-18/h10-13,19H,4-9H2,1-3H3.
What are the key properties of 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol?
1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 266.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 45181874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).