4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine

C20H35N5 — CID 46989502

IUPAC4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine
SMILESCC(C)(CN1CCCC1)CN1CCC(Cn2cc(C3CC3)nn2)CC1
InChIInChI=1S/C20H35N5/c1-20(2,15-23-9-3-4-10-23)16-24-11-7-17(8-12-24)13-25-14-19(21-22-25)18-5-6-18/h14,17-18H,3-13,15-16H2,1-2H3
InChIKeyDRIJEUZQRSSLNK-UHFFFAOYSA-N
MW345.54 g/mol
LogP2.99
Rot. Bonds7

About 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine

4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine (PubChem CID 46989502) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine.

Molecular Properties

Compound Name4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine
PubChem CID46989502
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine
SMILESCC(C)(CN1CCCC1)CN1CCC(Cn2cc(C3CC3)nn2)CC1
InChIInChI=1S/C20H35N5/c1-20(2,15-23-9-3-4-10-23)16-24-11-7-17(8-12-24)13-25-14-19(21-22-25)18-5-6-18/h14,17-18H,3-13,15-16H2,1-2H3
InChIKeyDRIJEUZQRSSLNK-UHFFFAOYSA-N
XLogP2.99
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(Cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine
CID 51354870
1-[3-[4-(Cyclohexylmethyl)triazol-1-yl]propyl]piperidine
CID 51354871
4-(4-Cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine
CID 31075005
1-(1-Cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine
CID 46985923
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(2-ethylbutyl)piperidine
CID 46989658
4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46990234
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(2-methylpentyl)piperidine
CID 46992535
4-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]-1'-propyl-1,4'-bipiperidine
CID 46995422
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46996926
1-cycloheptyl-4-(4-isobutyl-1H-1,2,3-triazol-1-yl)piperidine
CID 46990983
4-(4-cyclopropyltriazol-1-yl)-1-[(2S)-5-methylhexan-2-yl]piperidine
CID 52383735
4-(4-Tert-butyltriazol-1-yl)-1-[5-[3-(difluoromethyl)triazol-4-yl]-4-ethyl-2-methylhexan-2-yl]piperidine
CID 132246976

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine?
The IUPAC name of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine (CID 46989502) is 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine.
What is the SMILES notation for 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine?
The canonical SMILES for 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine is CC(C)(CN1CCCC1)CN1CCC(Cn2cc(C3CC3)nn2)CC1.
What is the InChIKey of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine?
The InChIKey is DRIJEUZQRSSLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-20(2,15-23-9-3-4-10-23)16-24-11-7-17(8-12-24)13-25-14-19(21-22-25)18-5-6-18/h14,17-18H,3-13,15-16H2,1-2H3.
What are the key properties of 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine?
4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine has a molecular weight of 345.54 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyltriazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine is sourced from PubChem (CID 46989502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).