(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol

C13H28N2O — CID 82242691

IUPAC(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
SMILESCCCCCN1CC(C(C)C)NCC1CO
InChIInChI=1S/C13H28N2O/c1-4-5-6-7-15-9-13(11(2)3)14-8-12(15)10-16/h11-14,16H,4-10H2,1-3H3
InChIKeyBZXRCTPKTABIDJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol

(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol (PubChem CID 82242691) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
PubChem CID82242691
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
SMILESCCCCCN1CC(C(C)C)NCC1CO
InChIInChI=1S/C13H28N2O/c1-4-5-6-7-15-9-13(11(2)3)14-8-12(15)10-16/h11-14,16H,4-10H2,1-3H3
InChIKeyBZXRCTPKTABIDJ-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol?
The IUPAC name of (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol (CID 82242691) is (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol.
What is the SMILES notation for (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol?
The canonical SMILES for (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol is CCCCCN1CC(C(C)C)NCC1CO.
What is the InChIKey of (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol?
The InChIKey is BZXRCTPKTABIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-5-6-7-15-9-13(11(2)3)14-8-12(15)10-16/h11-14,16H,4-10H2,1-3H3.
What are the key properties of (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol?
(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol is sourced from PubChem (CID 82242691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).