[1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol

C11H25N3O2 — CID 82242875

IUPAC[1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol
SMILESCN(C)CCCN1CC(CO)NCC1CO
InChIInChI=1S/C11H25N3O2/c1-13(2)4-3-5-14-7-10(8-15)12-6-11(14)9-16/h10-12,15-16H,3-9H2,1-2H3
InChIKeyKLMZRHAOKSSMDM-UHFFFAOYSA-N
MW231.34 g/mol
LogP-1.43
Rot. Bonds6

About [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol

[1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol (PubChem CID 82242875) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol
PubChem CID82242875
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name[1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol
SMILESCN(C)CCCN1CC(CO)NCC1CO
InChIInChI=1S/C11H25N3O2/c1-13(2)4-3-5-14-7-10(8-15)12-6-11(14)9-16/h10-12,15-16H,3-9H2,1-2H3
InChIKeyKLMZRHAOKSSMDM-UHFFFAOYSA-N
XLogP-1.43
TPSA58.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol?
The IUPAC name of [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol (CID 82242875) is [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol.
What is the SMILES notation for [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol?
The canonical SMILES for [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol is CN(C)CCCN1CC(CO)NCC1CO.
What is the InChIKey of [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol?
The InChIKey is KLMZRHAOKSSMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-13(2)4-3-5-14-7-10(8-15)12-6-11(14)9-16/h10-12,15-16H,3-9H2,1-2H3.
What are the key properties of [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol?
[1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol has a molecular weight of 231.34 g/mol, XLogP of -1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dimethylamino)propyl]-5-(hydroxymethyl)piperazin-2-yl]methanol is sourced from PubChem (CID 82242875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).