1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C17H25N5O — CID 138044865

IUPAC1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCCc1cc(N2CCCC(O)(c3cn(C(C)C)nn3)C2)ccn1
InChIInChI=1S/C17H25N5O/c1-4-14-10-15(6-8-18-14)21-9-5-7-17(23,12-21)16-11-22(13(2)3)20-19-16/h6,8,10-11,13,23H,4-5,7,9,12H2,1-3H3
InChIKeyTWRXEWDLTSBPPE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.30
Rot. Bonds4

About 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 138044865) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID138044865
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCCc1cc(N2CCCC(O)(c3cn(C(C)C)nn3)C2)ccn1
InChIInChI=1S/C17H25N5O/c1-4-14-10-15(6-8-18-14)21-9-5-7-17(23,12-21)16-11-22(13(2)3)20-19-16/h6,8,10-11,13,23H,4-5,7,9,12H2,1-3H3
InChIKeyTWRXEWDLTSBPPE-UHFFFAOYSA-N
XLogP2.30
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 129482258
(3S)-1-(3-chloro-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483018
(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482942
1-ethylsulfonyl-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128975140
(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483665
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128977791
(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482545
1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128977033
[4-(dimethylamino)-2-pyridinyl]-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone
CID 129483992
2-fluoro-6-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]benzonitrile
CID 129482310
2-fluoro-6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]benzonitrile
CID 128977820
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128969366

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 138044865) is 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CCc1cc(N2CCCC(O)(c3cn(C(C)C)nn3)C2)ccn1.
What is the InChIKey of 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is TWRXEWDLTSBPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-14-10-15(6-8-18-14)21-9-5-7-17(23,12-21)16-11-22(13(2)3)20-19-16/h6,8,10-11,13,23H,4-5,7,9,12H2,1-3H3.
What are the key properties of 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 315.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-pyridinyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 138044865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).