[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone

C15H29N3O2 — CID 110108789

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone
SMILESCN(C)CC1(O)CCN(C(=O)C2(C)CCCCN2C)C1
InChIInChI=1S/C15H29N3O2/c1-14(7-5-6-9-17(14)4)13(19)18-10-8-15(20,12-18)11-16(2)3/h20H,5-12H2,1-4H3
InChIKeyXICQKKIWHGZFEN-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.39
Rot. Bonds3

About [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone

[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone (PubChem CID 110108789) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone
PubChem CID110108789
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone
SMILESCN(C)CC1(O)CCN(C(=O)C2(C)CCCCN2C)C1
InChIInChI=1S/C15H29N3O2/c1-14(7-5-6-9-17(14)4)13(19)18-10-8-15(20,12-18)11-16(2)3/h20H,5-12H2,1-4H3
InChIKeyXICQKKIWHGZFEN-UHFFFAOYSA-N
XLogP0.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone (CID 110108789) is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone is CN(C)CC1(O)CCN(C(=O)C2(C)CCCCN2C)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone?
The InChIKey is XICQKKIWHGZFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(7-5-6-9-17(14)4)13(19)18-10-8-15(20,12-18)11-16(2)3/h20H,5-12H2,1-4H3.
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone?
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylpiperidin-2-yl)methanone has a molecular weight of 283.42 g/mol, XLogP of 0.39, 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]-(1,2-dimethylpiperidin-2-yl)methanone is sourced from PubChem (CID 110108789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).