(3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol

C14H25N3O2 — CID 72934641

IUPAC(3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol
SMILESCC(C)(C)c1cc(CN2CC[C@](C)(O)[C@@H](O)C2)[nH]n1
InChIInChI=1S/C14H25N3O2/c1-13(2,3)11-7-10(15-16-11)8-17-6-5-14(4,19)12(18)9-17/h7,12,18-19H,5-6,8-9H2,1-4H3,(H,15,16)/t12-,14-/m0/s1
InChIKeyXFEZWNOEOAGRFE-JSGCOSHPSA-N
MW267.37 g/mol
LogP1.02
Rot. Bonds2

About (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol

(3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol (PubChem CID 72934641) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol
PubChem CID72934641
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol
SMILESCC(C)(C)c1cc(CN2CC[C@](C)(O)[C@@H](O)C2)[nH]n1
InChIInChI=1S/C14H25N3O2/c1-13(2,3)11-7-10(15-16-11)8-17-6-5-14(4,19)12(18)9-17/h7,12,18-19H,5-6,8-9H2,1-4H3,(H,15,16)/t12-,14-/m0/s1
InChIKeyXFEZWNOEOAGRFE-JSGCOSHPSA-N
XLogP1.02
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16189865
2-[4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190318
2-{1-cyclopentyl-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
CID 16190729
({4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]morpholin-2-yl}methyl)amine
CID 56721872
4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-1,4-oxazepan-6-ol
CID 70727587
[1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91770286
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 56705116
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4,4-difluoro-1-piperidinyl)-3-pyrrolidinol
CID 56899816
(1R*,3S*)-7-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 70768642
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethoxy)piperidine
CID 77084666
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethyl)piperazine
CID 77097114
(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 96376848

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol?
The IUPAC name of (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol (CID 72934641) is (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol is CC(C)(C)c1cc(CN2CC[C@](C)(O)[C@@H](O)C2)[nH]n1.
What is the InChIKey of (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol?
The InChIKey is XFEZWNOEOAGRFE-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2,3)11-7-10(15-16-11)8-17-6-5-14(4,19)12(18)9-17/h7,12,18-19H,5-6,8-9H2,1-4H3,(H,15,16)/t12-,14-/m0/s1.
What are the key properties of (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol?
(3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol has a molecular weight of 267.37 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 72934641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).