[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol

C21H31N5O — CID 31224091

IUPAC[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESCc1cccc(N2CCC(N3CCC[C@H](Cn4cc(CO)nn4)C3)CC2)c1
InChIInChI=1S/C21H31N5O/c1-17-4-2-6-21(12-17)24-10-7-20(8-11-24)25-9-3-5-18(13-25)14-26-15-19(16-27)22-23-26/h2,4,6,12,15,18,20,27H,3,5,7-11,13-14,16H2,1H3/t18-/m0/s1
InChIKeyQTZZNZRAZXKKII-SFHVURJKSA-N
MW369.51 g/mol
LogP2.46
Rot. Bonds5

About [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol

[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol (PubChem CID 31224091) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol
PubChem CID31224091
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESCc1cccc(N2CCC(N3CCC[C@H](Cn4cc(CO)nn4)C3)CC2)c1
InChIInChI=1S/C21H31N5O/c1-17-4-2-6-21(12-17)24-10-7-20(8-11-24)25-9-3-5-18(13-25)14-26-15-19(16-27)22-23-26/h2,4,6,12,15,18,20,27H,3,5,7-11,13-14,16H2,1H3/t18-/m0/s1
InChIKeyQTZZNZRAZXKKII-SFHVURJKSA-N
XLogP2.46
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol with MolForge

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Related Compounds

[1-[[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)
CID 154891493
2-[1-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]ethanol
CID 29257050
[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45186762
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
[1-[[1-(thian-4-yl)piperidin-3-yl]methyl]triazol-4-yl]methylurea
CID 45242717
[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28955111
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928
2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 29254785
tert-butyl 3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidine-1-carboxylate
CID 121208608
[1-[[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154887702

Frequently Asked Questions

What is the IUPAC name of [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol (CID 31224091) is [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol is Cc1cccc(N2CCC(N3CCC[C@H](Cn4cc(CO)nn4)C3)CC2)c1.
What is the InChIKey of [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The InChIKey is QTZZNZRAZXKKII-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N5O/c1-17-4-2-6-21(12-17)24-10-7-20(8-11-24)25-9-3-5-18(13-25)14-26-15-19(16-27)22-23-26/h2,4,6,12,15,18,20,27H,3,5,7-11,13-14,16H2,1H3/t18-/m0/s1.
What are the key properties of [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol has a molecular weight of 369.51 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 31224091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).