(3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine

C15H23N3 — CID 100838153

IUPAC(3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc([C@H]2CCCN([C@@H]3C=CCCC3)C2)n[nH]1
InChIInChI=1S/C15H23N3/c1-12-10-15(17-16-12)13-6-5-9-18(11-13)14-7-3-2-4-8-14/h3,7,10,13-14H,2,4-6,8-9,11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyQBFCYPBGAONXBJ-UONOGXRCSA-N
MW245.37 g/mol
LogP3.01
Rot. Bonds2

About (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine

(3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine (PubChem CID 100838153) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
PubChem CID100838153
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc([C@H]2CCCN([C@@H]3C=CCCC3)C2)n[nH]1
InChIInChI=1S/C15H23N3/c1-12-10-15(17-16-12)13-6-5-9-18(11-13)14-7-3-2-4-8-14/h3,7,10,13-14H,2,4-6,8-9,11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyQBFCYPBGAONXBJ-UONOGXRCSA-N
XLogP3.01
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The IUPAC name of (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine (CID 100838153) is (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine.
What is the SMILES notation for (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The canonical SMILES for (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine is Cc1cc([C@H]2CCCN([C@@H]3C=CCCC3)C2)n[nH]1.
What is the InChIKey of (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
The InChIKey is QBFCYPBGAONXBJ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-10-15(17-16-12)13-6-5-9-18(11-13)14-7-3-2-4-8-14/h3,7,10,13-14H,2,4-6,8-9,11H2,1H3,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine?
(3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine has a molecular weight of 245.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1S)-cyclohex-2-en-1-yl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine is sourced from PubChem (CID 100838153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).