[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone

C12H22N2O2 — CID 114424447

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone
SMILESCC1CCNC(C(=O)N2CCC(CO)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-2-4-13-11(6-9)12(16)14-5-3-10(7-14)8-15/h9-11,13,15H,2-8H2,1H3
InChIKeyDZKZRPOETIBZTK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.22
Rot. Bonds2

About [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone (PubChem CID 114424447) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone
PubChem CID114424447
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone
SMILESCC1CCNC(C(=O)N2CCC(CO)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-2-4-13-11(6-9)12(16)14-5-3-10(7-14)8-15/h9-11,13,15H,2-8H2,1H3
InChIKeyDZKZRPOETIBZTK-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 115867224
(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422546
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
N-methyl-1-(4-methylpiperidine-2-carbonyl)piperidine-3-carboxamide
CID 103195214
[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769
1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 114423833
azetidin-2-yl-(3-methylpiperidin-1-yl)methanone
CID 127007558
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114429367
N-[1-(4-methylpiperidine-2-carbonyl)piperidin-4-yl]butanamide
CID 114423431
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone (CID 114424447) is [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone is CC1CCNC(C(=O)N2CCC(CO)C2)C1.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone?
The InChIKey is DZKZRPOETIBZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-2-4-13-11(6-9)12(16)14-5-3-10(7-14)8-15/h9-11,13,15H,2-8H2,1H3.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 114424447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).