1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

C18H31N5O — CID 70706625

IUPAC1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCCN(CC2CC2)C1
InChIInChI=1S/C18H31N5O/c1-21-17(13-22-9-6-16(24)7-10-22)19-20-18(21)15-3-2-8-23(12-15)11-14-4-5-14/h14-16,24H,2-13H2,1H3
InChIKeyWEBIWNDUUQQMKH-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.36
Rot. Bonds5

About 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 70706625) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
PubChem CID70706625
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCCN(CC2CC2)C1
InChIInChI=1S/C18H31N5O/c1-21-17(13-22-9-6-16(24)7-10-22)19-20-18(21)15-3-2-8-23(12-15)11-14-4-5-14/h14-16,24H,2-13H2,1H3
InChIKeyWEBIWNDUUQQMKH-UHFFFAOYSA-N
XLogP1.36
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 53603902
1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 56780838
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 56781806
1-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70772748
2-(4-{4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)propane-1,3-diol
CID 72857858
1-{[5-(1,4'-bipiperidin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-piperidinol dihydrochloride
CID 70706827
1-{[5-(1-beta-alanyl-3-piperidinyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-piperidinol dihydrochloride
CID 70722457
1-({5-[1-(cyclopropylacetyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70715452
1-({4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70726015
1-({4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 72867430
1-[[4-methyl-5-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95866923
1-[[4-methyl-5-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95866924

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (CID 70706625) is 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is Cn1c(CN2CCC(O)CC2)nnc1C1CCCN(CC2CC2)C1.
What is the InChIKey of 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is WEBIWNDUUQQMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-21-17(13-22-9-6-16(24)7-10-22)19-20-18(21)15-3-2-8-23(12-15)11-14-4-5-14/h14-16,24H,2-13H2,1H3.
What are the key properties of 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 333.48 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[1-(cyclopropylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 70706625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).