(1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol

C15H28N4O — CID 124751586

IUPAC(1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCCc1n[nH]c(CN2CCC([C@@H](O)CC(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-4-14-16-15(18-17-14)10-19-7-5-12(6-8-19)13(20)9-11(2)3/h11-13,20H,4-10H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyHCBJLOQPWODNBU-ZDUSSCGKSA-N
MW280.42 g/mol
LogP1.99
Rot. Bonds6

About (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol

(1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol (PubChem CID 124751586) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol
PubChem CID124751586
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name(1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCCc1n[nH]c(CN2CCC([C@@H](O)CC(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-4-14-16-15(18-17-14)10-19-7-5-12(6-8-19)13(20)9-11(2)3/h11-13,20H,4-10H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyHCBJLOQPWODNBU-ZDUSSCGKSA-N
XLogP1.99
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol with MolForge

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Related Compounds

1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-6,6-dimethylazepan-4-ol;formic acid
CID 154910003
N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 131937883
3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol
CID 70749351
(1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
CID 25456411
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 107052605
4-ethoxy-2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 86816156
4-[[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 70754857
4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131935697
3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol
CID 45242244
1-benzylsulfonyl-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
CID 75504319
2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 91828963
(2-cyclopropylpyrimidin-5-yl)-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone;formic acid
CID 154918673

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The IUPAC name of (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol (CID 124751586) is (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol is CCc1n[nH]c(CN2CCC([C@@H](O)CC(C)C)CC2)n1.
What is the InChIKey of (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The InChIKey is HCBJLOQPWODNBU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-14-16-15(18-17-14)10-19-7-5-12(6-8-19)13(20)9-11(2)3/h11-13,20H,4-10H2,1-3H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol?
(1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol has a molecular weight of 280.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 124751586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).