1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine

C23H33N5 — CID 154817894

IUPAC1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine
SMILESc1ccc(-n2cc(CN3CCC(C4CCN(CC5CC5)CC4)CC3)nn2)cc1
InChIInChI=1S/C23H33N5/c1-2-4-23(5-3-1)28-18-22(24-25-28)17-27-14-10-21(11-15-27)20-8-12-26(13-9-20)16-19-6-7-19/h1-5,18-21H,6-17H2
InChIKeyYELBKRGKWNFHPU-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.60
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine

1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine (PubChem CID 154817894) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine
PubChem CID154817894
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine
SMILESc1ccc(-n2cc(CN3CCC(C4CCN(CC5CC5)CC4)CC3)nn2)cc1
InChIInChI=1S/C23H33N5/c1-2-4-23(5-3-1)28-18-22(24-25-28)17-27-14-10-21(11-15-27)20-8-12-26(13-9-20)16-19-6-7-19/h1-5,18-21H,6-17H2
InChIKeyYELBKRGKWNFHPU-UHFFFAOYSA-N
XLogP3.60
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine (CID 154817894) is 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine is c1ccc(-n2cc(CN3CCC(C4CCN(CC5CC5)CC4)CC3)nn2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine?
The InChIKey is YELBKRGKWNFHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-2-4-23(5-3-1)28-18-22(24-25-28)17-27-14-10-21(11-15-27)20-8-12-26(13-9-20)16-19-6-7-19/h1-5,18-21H,6-17H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine?
1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine has a molecular weight of 379.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine is sourced from PubChem (CID 154817894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).