(4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol

C14H25N3O — CID 70780698

IUPAC(4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCCn1ccc(CN2CC[C@](C)(O)C(C)(C)C2)n1
InChIInChI=1S/C14H25N3O/c1-5-17-8-6-12(15-17)10-16-9-7-14(4,18)13(2,3)11-16/h6,8,18H,5,7,9-11H2,1-4H3/t14-/m0/s1
InChIKeyFIGMGKRCAQWPIP-AWEZNQCLSA-N
MW251.37 g/mol
LogP1.89
Rot. Bonds3

About (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol

(4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol (PubChem CID 70780698) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
PubChem CID70780698
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCCn1ccc(CN2CC[C@](C)(O)C(C)(C)C2)n1
InChIInChI=1S/C14H25N3O/c1-5-17-8-6-12(15-17)10-16-9-7-14(4,18)13(2,3)11-16/h6,8,18H,5,7,9-11H2,1-4H3/t14-/m0/s1
InChIKeyFIGMGKRCAQWPIP-AWEZNQCLSA-N
XLogP1.89
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol (CID 70780698) is (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol is CCn1ccc(CN2CC[C@](C)(O)C(C)(C)C2)n1.
What is the InChIKey of (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The InChIKey is FIGMGKRCAQWPIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-17-8-6-12(15-17)10-16-9-7-14(4,18)13(2,3)11-16/h6,8,18H,5,7,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
(4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol has a molecular weight of 251.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(1-ethylpyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol is sourced from PubChem (CID 70780698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).