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

C19H39N3O — CID 45211321

IUPAC2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(CC(C)(C)C)CC2CCO)CC1
InChIInChI=1S/C19H39N3O/c1-16(2)21-9-6-17(7-10-21)22-12-11-20(15-19(3,4)5)14-18(22)8-13-23/h16-18,23H,6-15H2,1-5H3
InChIKeyPWVLTTQMIWZXGF-UHFFFAOYSA-N
MW325.54 g/mol
LogP2.27
Rot. Bonds5

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

2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45211321) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID45211321
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(CC(C)(C)C)CC2CCO)CC1
InChIInChI=1S/C19H39N3O/c1-16(2)21-9-6-17(7-10-21)22-12-11-20(15-19(3,4)5)14-18(22)8-13-23/h16-18,23H,6-15H2,1-5H3
InChIKeyPWVLTTQMIWZXGF-UHFFFAOYSA-N
XLogP2.27
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45211321) is 2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(CC(C)(C)C)CC2CCO)CC1.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is PWVLTTQMIWZXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O/c1-16(2)21-9-6-17(7-10-21)22-12-11-20(15-19(3,4)5)14-18(22)8-13-23/h16-18,23H,6-15H2,1-5H3.
What are the key properties of 2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 325.54 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45211321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).