4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine

C17H25N5S — CID 29029926

IUPAC4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine
SMILESc1cc(CN2CCC(n3cc(CN4CCCC4)nn3)CC2)cs1
InChIInChI=1S/C17H25N5S/c1-2-7-20(6-1)12-16-13-22(19-18-16)17-3-8-21(9-4-17)11-15-5-10-23-14-15/h5,10,13-14,17H,1-4,6-9,11-12H2
InChIKeyFXICDDZYHJSXCO-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.77
Rot. Bonds5

About 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine

4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine (PubChem CID 29029926) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine
PubChem CID29029926
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine
SMILESc1cc(CN2CCC(n3cc(CN4CCCC4)nn3)CC2)cs1
InChIInChI=1S/C17H25N5S/c1-2-7-20(6-1)12-16-13-22(19-18-16)17-3-8-21(9-4-17)11-15-5-10-23-14-15/h5,10,13-14,17H,1-4,6-9,11-12H2
InChIKeyFXICDDZYHJSXCO-UHFFFAOYSA-N
XLogP2.77
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(Pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154891169
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
pyrrolidin-1-yl-[1-[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 25291305
pyrrolidin-1-yl-[1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 25291307
N-[(1-{[1-(3-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]urea
CID 29087479
3-[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]-1-(3-thienylmethyl)piperidine
CID 45234495
4-(4-isobutyl-1H-1,2,3-triazol-1-yl)-1-[(3-methyl-2-thienyl)methyl]piperidine
CID 46996812
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
N-methyl-1-[1-(3-piperidinylmethyl)-1H-1,2,3-triazol-4-yl]-N-(3-thienylmethyl)methanamine bis(trifluoroacetate)
CID 56854108
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
4-(Bromomethyl)-1-(thiophen-3-ylmethyl)triazole
CID 62402168

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine?
The IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine (CID 29029926) is 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine is c1cc(CN2CCC(n3cc(CN4CCCC4)nn3)CC2)cs1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine?
The InChIKey is FXICDDZYHJSXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-2-7-20(6-1)12-16-13-22(19-18-16)17-3-8-21(9-4-17)11-15-5-10-23-14-15/h5,10,13-14,17H,1-4,6-9,11-12H2.
What are the key properties of 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine?
4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine has a molecular weight of 331.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]-1-(thiophen-3-ylmethyl)piperidine is sourced from PubChem (CID 29029926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).