(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine

C18H29N3 — CID 99937812

IUPAC(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cn[nH]c1[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1
InChIInChI=1S/C18H29N3/c1-14(2)17-11-19-20-18(17)16-9-6-10-21(13-16)12-15-7-4-3-5-8-15/h3-4,11,14-16H,5-10,12-13H2,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyAXTVOJQPJPOJAS-HZPDHXFCSA-N
MW287.45 g/mol
LogP4.07
Rot. Bonds4

About (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine

(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 99937812) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID99937812
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cn[nH]c1[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1
InChIInChI=1S/C18H29N3/c1-14(2)17-11-19-20-18(17)16-9-6-10-21(13-16)12-15-7-4-3-5-8-15/h3-4,11,14-16H,5-10,12-13H2,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyAXTVOJQPJPOJAS-HZPDHXFCSA-N
XLogP4.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42431475
(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 98760298
(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 96623523
1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine
CID 64952148
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42479587
1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45225311
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
CID 29256573
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
2-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-N,N-dimethyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-sulfonamide
CID 136851145
2-[(3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-N,N-dimethyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-sulfonamide
CID 136851146
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 99937812) is (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine is CC(C)c1cn[nH]c1[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1.
What is the InChIKey of (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is AXTVOJQPJPOJAS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)17-11-19-20-18(17)16-9-6-10-21(13-16)12-15-7-4-3-5-8-15/h3-4,11,14-16H,5-10,12-13H2,1-2H3,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 287.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 99937812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).