cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone

C17H31NO3 — CID 156603388

IUPACcycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
SMILESCOCCC1(O)CCN(C(=O)C2CCCCCC2)CC1C
InChIInChI=1S/C17H31NO3/c1-14-13-18(11-9-17(14,20)10-12-21-2)16(19)15-7-5-3-4-6-8-15/h14-15,20H,3-13H2,1-2H3
InChIKeyMPURZGRUOMCPGT-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.59
Rot. Bonds4

About cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone

cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone (PubChem CID 156603388) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
PubChem CID156603388
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Namecycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
SMILESCOCCC1(O)CCN(C(=O)C2CCCCCC2)CC1C
InChIInChI=1S/C17H31NO3/c1-14-13-18(11-9-17(14,20)10-12-21-2)16(19)15-7-5-3-4-6-8-15/h14-15,20H,3-13H2,1-2H3
InChIKeyMPURZGRUOMCPGT-UHFFFAOYSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 72898273
(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 72913982
cyclopentyl-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 131660587
cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487114
4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
CID 72876061
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110
3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]propan-1-one
CID 156605534
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-cyclobutylmethanone
CID 81096994
[3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
CID 133111598
[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
CID 70762380
cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844209

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone (CID 156603388) is cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone is COCCC1(O)CCN(C(=O)C2CCCCCC2)CC1C.
What is the InChIKey of cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone?
The InChIKey is MPURZGRUOMCPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-14-13-18(11-9-17(14,20)10-12-21-2)16(19)15-7-5-3-4-6-8-15/h14-15,20H,3-13H2,1-2H3.
What are the key properties of cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone?
cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone has a molecular weight of 297.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 156603388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).