4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol

C10H20N2O2 — CID 130647241

IUPAC4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol
SMILESOCC1CN(C2CCCNC2)CC1O
InChIInChI=1S/C10H20N2O2/c13-7-8-5-12(6-10(8)14)9-2-1-3-11-4-9/h8-11,13-14H,1-7H2
InChIKeyVDVGCPOZXUMDRB-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.98
Rot. Bonds2

About 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol

4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol (PubChem CID 130647241) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol
PubChem CID130647241
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol
SMILESOCC1CN(C2CCCNC2)CC1O
InChIInChI=1S/C10H20N2O2/c13-7-8-5-12(6-10(8)14)9-2-1-3-11-4-9/h8-11,13-14H,1-7H2
InChIKeyVDVGCPOZXUMDRB-UHFFFAOYSA-N
XLogP-0.98
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylazetidin-1-yl)piperidine
CID 79677319
3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
CID 103533918
(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 131204117
1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol
CID 126987363
1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine
CID 174829694
1-(azetidin-3-yl)pyrrolidine-3,4-diol
CID 106674356
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121
tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate
CID 86317598
(4-methyl-1-piperidin-3-ylpiperazin-2-yl)methanol
CID 83821353
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
4-methyl-1-pyrrolidin-3-ylpiperidin-3-ol
CID 102969108

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol?
The IUPAC name of 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol (CID 130647241) is 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol is OCC1CN(C2CCCNC2)CC1O.
What is the InChIKey of 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol?
The InChIKey is VDVGCPOZXUMDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-7-8-5-12(6-10(8)14)9-2-1-3-11-4-9/h8-11,13-14H,1-7H2.
What are the key properties of 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol?
4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol has a molecular weight of 200.28 g/mol, XLogP of -0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-piperidin-3-ylpyrrolidin-3-ol is sourced from PubChem (CID 130647241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).