[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone

C14H27N3O2 — CID 110108798

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCN(C)CC1(O)CCN(C(=O)C2CCCN(C)C2)C1
InChIInChI=1S/C14H27N3O2/c1-15(2)10-14(19)6-8-17(11-14)13(18)12-5-4-7-16(3)9-12/h12,19H,4-11H2,1-3H3
InChIKeyIUEUEUMEZGRCCJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.15
Rot. Bonds3

About [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone

[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone (PubChem CID 110108798) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone
PubChem CID110108798
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCN(C)CC1(O)CCN(C(=O)C2CCCN(C)C2)C1
InChIInChI=1S/C14H27N3O2/c1-15(2)10-14(19)6-8-17(11-14)13(18)12-5-4-7-16(3)9-12/h12,19H,4-11H2,1-3H3
InChIKeyIUEUEUMEZGRCCJ-UHFFFAOYSA-N
XLogP-0.15
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
3-cyclohexyl-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 124996744
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 72861703
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
(4-cyclopropylidenepiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121184137
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone (CID 110108798) is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone is CN(C)CC1(O)CCN(C(=O)C2CCCN(C)C2)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
The InChIKey is IUEUEUMEZGRCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-15(2)10-14(19)6-8-17(11-14)13(18)12-5-4-7-16(3)9-12/h12,19H,4-11H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone has a molecular weight of 269.39 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 110108798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).