[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C19H28N2O2 — CID 120622997

IUPAC[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-14-3-5-17(6-4-14)23-18-8-11-21(12-9-18)19(22)16-7-10-20-15(2)13-16/h3-6,15-16,18,20H,7-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyAHLNLXZSORUWOK-HOTGVXAUSA-N
MW316.44 g/mol
LogP2.75
Rot. Bonds3

About [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120622997) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120622997
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-14-3-5-17(6-4-14)23-18-8-11-21(12-9-18)19(22)16-7-10-20-15(2)13-16/h3-6,15-16,18,20H,7-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyAHLNLXZSORUWOK-HOTGVXAUSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone with MolForge

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Related Compounds

[(2S,4S)-2-methylpiperidin-4-yl]-[4-(4-nitrophenoxy)piperidin-1-yl]methanone
CID 120635904
[4-(4-methylbenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120620493
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619320
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 138033034
[4-(4-methoxybenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120620656
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 155508194
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617014
[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699739

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120622997) is [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is Cc1ccc(OC2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is AHLNLXZSORUWOK-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-3-5-17(6-4-14)23-18-8-11-21(12-9-18)19(22)16-7-10-20-15(2)13-16/h3-6,15-16,18,20H,7-13H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120622997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).