[5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol

C10H21N3O — CID 70011571

IUPAC[5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol
SMILESOCC1CNC(CN2CCCC2)CN1
InChIInChI=1S/C10H21N3O/c14-8-10-6-11-9(5-12-10)7-13-3-1-2-4-13/h9-12,14H,1-8H2
InChIKeyKOZLWWSROBXSSZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-1.00
Rot. Bonds3

About [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol

[5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol (PubChem CID 70011571) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol
PubChem CID70011571
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name[5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol
SMILESOCC1CNC(CN2CCCC2)CN1
InChIInChI=1S/C10H21N3O/c14-8-10-6-11-9(5-12-10)7-13-3-1-2-4-13/h9-12,14H,1-8H2
InChIKeyKOZLWWSROBXSSZ-UHFFFAOYSA-N
XLogP-1.00
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol?
The IUPAC name of [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol (CID 70011571) is [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol.
What is the SMILES notation for [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol?
The canonical SMILES for [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol is OCC1CNC(CN2CCCC2)CN1.
What is the InChIKey of [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol?
The InChIKey is KOZLWWSROBXSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c14-8-10-6-11-9(5-12-10)7-13-3-1-2-4-13/h9-12,14H,1-8H2.
What are the key properties of [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol?
[5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol has a molecular weight of 199.30 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyrrolidin-1-ylmethyl)piperazin-2-yl]methanol is sourced from PubChem (CID 70011571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).