cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone

C11H19NO2 — CID 145231630

IUPACcyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@]1(CO)CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C11H19NO2/c1-11(8-13)5-2-6-12(7-11)10(14)9-3-4-9/h9,13H,2-8H2,1H3/t11-/m1/s1
InChIKeyJROKEGHAGYREFS-LLVKDONJSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds2

About cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone

cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone (PubChem CID 145231630) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone
PubChem CID145231630
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@]1(CO)CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C11H19NO2/c1-11(8-13)5-2-6-12(7-11)10(14)9-3-4-9/h9,13H,2-8H2,1H3/t11-/m1/s1
InChIKeyJROKEGHAGYREFS-LLVKDONJSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 120805422
(1-ethylpiperidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
CID 97148086
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
cis-(1R,3S)-3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065845
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
3-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]-3-methylpiperidine-1-carboxamide
CID 110024481
4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783009
4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023316

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone (CID 145231630) is cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone is C[C@@]1(CO)CCCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone?
The InChIKey is JROKEGHAGYREFS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(8-13)5-2-6-12(7-11)10(14)9-3-4-9/h9,13H,2-8H2,1H3/t11-/m1/s1.
What are the key properties of cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone?
cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone has a molecular weight of 197.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 145231630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).