1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine

C14H21N7 — CID 124623739

IUPAC1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine
SMILESC[C@@H](c1nnnn1C1CC1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C14H21N7/c1-11(14-16-17-18-21(14)13-2-3-13)19-7-4-12(5-8-19)20-9-6-15-10-20/h6,9-13H,2-5,7-8H2,1H3/t11-/m0/s1
InChIKeyYJLYZAYACUXXSQ-NSHDSACASA-N
MW287.37 g/mol
LogP1.60
Rot. Bonds4

About 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine

1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine (PubChem CID 124623739) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine.

Molecular Properties

Compound Name1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine
PubChem CID124623739
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine
SMILESC[C@@H](c1nnnn1C1CC1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C14H21N7/c1-11(14-16-17-18-21(14)13-2-3-13)19-7-4-12(5-8-19)20-9-6-15-10-20/h6,9-13H,2-5,7-8H2,1H3/t11-/m0/s1
InChIKeyYJLYZAYACUXXSQ-NSHDSACASA-N
XLogP1.60
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine?
The IUPAC name of 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine (CID 124623739) is 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine.
What is the SMILES notation for 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine?
The canonical SMILES for 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine is C[C@@H](c1nnnn1C1CC1)N1CCC(n2ccnc2)CC1.
What is the InChIKey of 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine?
The InChIKey is YJLYZAYACUXXSQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N7/c1-11(14-16-17-18-21(14)13-2-3-13)19-7-4-12(5-8-19)20-9-6-15-10-20/h6,9-13H,2-5,7-8H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine?
1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine has a molecular weight of 287.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-imidazol-1-ylpiperidine is sourced from PubChem (CID 124623739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).