2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C14H29N3O — CID 56897853

IUPAC2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCNCC2CCO)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)16-7-3-13(4-8-16)17-9-6-15-11-14(17)5-10-18/h12-15,18H,3-11H2,1-2H3
InChIKeyOXMSZRWSNBGYTP-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.52
Rot. Bonds4

About 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 56897853) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID56897853
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCNCC2CCO)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)16-7-3-13(4-8-16)17-9-6-15-11-14(17)5-10-18/h12-15,18H,3-11H2,1-2H3
InChIKeyOXMSZRWSNBGYTP-UHFFFAOYSA-N
XLogP0.52
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 56897853) is 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCNCC2CCO)CC1.
What is the InChIKey of 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is OXMSZRWSNBGYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)16-7-3-13(4-8-16)17-9-6-15-11-14(17)5-10-18/h12-15,18H,3-11H2,1-2H3.
What are the key properties of 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 255.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 56897853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).