(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol

C15H31N3O — CID 111487950

IUPAC(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(CC2CCCCN2C)CC1
InChIInChI=1S/C15H31N3O/c1-3-15(19)13-18-10-8-17(9-11-18)12-14-6-4-5-7-16(14)2/h14-15,19H,3-13H2,1-2H3/t14?,15-/m1/s1
InChIKeyJQHOFQDMKZKVLL-YSSOQSIOSA-N
MW269.43 g/mol
LogP0.86
Rot. Bonds5

About (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol

(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol (PubChem CID 111487950) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol
PubChem CID111487950
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(CC2CCCCN2C)CC1
InChIInChI=1S/C15H31N3O/c1-3-15(19)13-18-10-8-17(9-11-18)12-14-6-4-5-7-16(14)2/h14-15,19H,3-13H2,1-2H3/t14?,15-/m1/s1
InChIKeyJQHOFQDMKZKVLL-YSSOQSIOSA-N
XLogP0.86
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol (CID 111487950) is (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCN(CC2CCCCN2C)CC1.
What is the InChIKey of (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol?
The InChIKey is JQHOFQDMKZKVLL-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-15(19)13-18-10-8-17(9-11-18)12-14-6-4-5-7-16(14)2/h14-15,19H,3-13H2,1-2H3/t14?,15-/m1/s1.
What are the key properties of (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol?
(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 111487950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).