1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one

C17H31NO2 — CID 163854498

IUPAC1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1CCC1CCC(O)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)17(20)18-12-4-3-5-15(18)9-6-14-7-10-16(19)11-8-14/h13-16,19H,3-12H2,1-2H3
InChIKeyOXEFAZXMFWCMTN-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.35
Rot. Bonds4

About 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one

1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 163854498) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID163854498
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1CCC1CCC(O)CC1
InChIInChI=1S/C17H31NO2/c1-13(2)17(20)18-12-4-3-5-15(18)9-6-14-7-10-16(19)11-8-14/h13-16,19H,3-12H2,1-2H3
InChIKeyOXEFAZXMFWCMTN-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one
CID 163992865
2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 163969592
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
1-[2-(2-aminooxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 82040224
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
3-methyl-1-[2-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]butane-1,2-dione
CID 167680940
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one (CID 163854498) is 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCCC1CCC1CCC(O)CC1.
What is the InChIKey of 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is OXEFAZXMFWCMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)17(20)18-12-4-3-5-15(18)9-6-14-7-10-16(19)11-8-14/h13-16,19H,3-12H2,1-2H3.
What are the key properties of 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 281.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 163854498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).