1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine

C16H26ClN3O2 — CID 124619404

IUPAC1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
SMILESCn1ncc(Cl)c1CN1CCC(OC[C@H]2CCCCO2)CC1
InChIInChI=1S/C16H26ClN3O2/c1-19-16(15(17)10-18-19)11-20-7-5-13(6-8-20)22-12-14-4-2-3-9-21-14/h10,13-14H,2-9,11-12H2,1H3/t14-/m1/s1
InChIKeyIOARQAGIUIJHCX-CQSZACIVSA-N
MW327.86 g/mol
LogP2.62
Rot. Bonds5

About 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine

1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine (PubChem CID 124619404) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
PubChem CID124619404
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
SMILESCn1ncc(Cl)c1CN1CCC(OC[C@H]2CCCCO2)CC1
InChIInChI=1S/C16H26ClN3O2/c1-19-16(15(17)10-18-19)11-20-7-5-13(6-8-20)22-12-14-4-2-3-9-21-14/h10,13-14H,2-9,11-12H2,1H3/t14-/m1/s1
InChIKeyIOARQAGIUIJHCX-CQSZACIVSA-N
XLogP2.62
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpyrazol-3-yl)sulfonyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine
CID 124727248
7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline
CID 102559179
2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 127418614
N-[[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842456
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966
5-methyl-4-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 136550700
4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 97157965
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143
3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile
CID 96926614
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone;hydrochloride
CID 120936665
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
N-[(2-chlorophenyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448859

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
The IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine (CID 124619404) is 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine is Cn1ncc(Cl)c1CN1CCC(OC[C@H]2CCCCO2)CC1.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
The InChIKey is IOARQAGIUIJHCX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26ClN3O2/c1-19-16(15(17)10-18-19)11-20-7-5-13(6-8-20)22-12-14-4-2-3-9-21-14/h10,13-14H,2-9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine has a molecular weight of 327.86 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine is sourced from PubChem (CID 124619404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).