[4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C22H33ClN2O2 — CID 42376596

IUPAC[4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCC(C)(C)CN1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H33ClN2O2/c1-22(2,3)16-24-13-9-18(10-14-24)27-20-15-17(23)7-8-19(20)21(26)25-11-5-4-6-12-25/h7-8,15,18H,4-6,9-14,16H2,1-3H3
InChIKeyYAKHRZCRSBFYJR-UHFFFAOYSA-N
MW392.97 g/mol
LogP4.86
Rot. Bonds4

About [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 42376596) has the molecular formula C22H33ClN2O2 and a molecular weight of 392.97 g/mol. Its IUPAC name is [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID42376596
Molecular FormulaC22H33ClN2O2
Molecular Weight392.97 g/mol
Exact Mass392.22
IUPAC Name[4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCC(C)(C)CN1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H33ClN2O2/c1-22(2,3)16-24-13-9-18(10-14-24)27-20-15-17(23)7-8-19(20)21(26)25-11-5-4-6-12-25/h7-8,15,18H,4-6,9-14,16H2,1-3H3
InChIKeyYAKHRZCRSBFYJR-UHFFFAOYSA-N
XLogP4.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.97
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25378744
[4-chloro-2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42514773
[4-chloro-2-[1-(1-ethylpiperidin-3-yl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 45231117
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42392064
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25293300
[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25381931
acetic acid;[2-(3-aminopropoxy)-4-chlorophenyl]-pyrrolidin-1-ylmethanone
CID 154906698
[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 42376596) is [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is CC(C)(C)CN1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is YAKHRZCRSBFYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O2/c1-22(2,3)16-24-13-9-18(10-14-24)27-20-15-17(23)7-8-19(20)21(26)25-11-5-4-6-12-25/h7-8,15,18H,4-6,9-14,16H2,1-3H3.
What are the key properties of [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 392.97 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42376596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).