[(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol

C15H28N4O — CID 91920881

IUPAC[(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESCCn1cc(CN2CC[C@H](CO)[C@H](N(C)C)C2)c(C)n1
InChIInChI=1S/C15H28N4O/c1-5-19-9-14(12(2)16-19)8-18-7-6-13(11-20)15(10-18)17(3)4/h9,13,15,20H,5-8,10-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyXYCSVCDDJLIQGD-UKRRQHHQSA-N
MW280.42 g/mol
LogP0.96
Rot. Bonds5

About [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol

[(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol (PubChem CID 91920881) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
PubChem CID91920881
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name[(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESCCn1cc(CN2CC[C@H](CO)[C@H](N(C)C)C2)c(C)n1
InChIInChI=1S/C15H28N4O/c1-5-19-9-14(12(2)16-19)8-18-7-6-13(11-20)15(10-18)17(3)4/h9,13,15,20H,5-8,10-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyXYCSVCDDJLIQGD-UKRRQHHQSA-N
XLogP0.96
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

1'-{[1-(2-hydroxyethyl)-3-methyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-4-ol
CID 70737725
2-[3-methyl-4-({4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}methyl)-1H-pyrazol-1-yl]ethanol
CID 70767261
2-{4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methyl-1H-pyrazol-1-yl}ethanol
CID 70778501
1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
((3S,4S)-4-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}tetrahydro-1H-pyrrol-3-yl)methanol
CID 91910140
2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 28768981
2-{3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]-1H-pyrazol-1-yl}ethanol
CID 77091141
{1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1,3'-bipiperidin-4-yl}methanol
CID 45191499
2-{1-(cyclohexylmethyl)-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45193705
Sdccgsbi-0115155.P001
CID 45208115
2-[4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 56857138
1-[(1,3-Dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75509398

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol (CID 91920881) is [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol is CCn1cc(CN2CC[C@H](CO)[C@H](N(C)C)C2)c(C)n1.
What is the InChIKey of [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is XYCSVCDDJLIQGD-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-19-9-14(12(2)16-19)8-18-7-6-13(11-20)15(10-18)17(3)4/h9,13,15,20H,5-8,10-11H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol?
[(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 280.42 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 91920881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).