piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone

C15H21NO2 — CID 6458312

IUPACpiperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12(2)18-14-8-6-7-13(11-14)15(17)16-9-4-3-5-10-16/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyRWAYZYBAXRJOSK-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.10
Rot. Bonds3

About piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone

piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone (PubChem CID 6458312) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
PubChem CID6458312
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namepiperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12(2)18-14-8-6-7-13(11-14)15(17)16-9-4-3-5-10-16/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyRWAYZYBAXRJOSK-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
[3-[1-(4-chlorophenyl)ethoxy]phenyl]-piperidin-1-ylmethanone
CID 86114774
[4-(chloromethyl)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 63397763
[(3S)-1-(3-ethynylbenzoyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26409527
[4-(ethylamino)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62919962
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
CID 134029931
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 131691578

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone (CID 6458312) is piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is RWAYZYBAXRJOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)18-14-8-6-7-13(11-14)15(17)16-9-4-3-5-10-16/h6-8,11-12H,3-5,9-10H2,1-2H3.
What are the key properties of piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone?
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 6458312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).