4-nonyl-1-propan-2-ylpiperidin-4-ol

C17H35NO — CID 65146910

IUPAC4-nonyl-1-propan-2-ylpiperidin-4-ol
SMILESCCCCCCCCCC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-17(19)12-14-18(15-13-17)16(2)3/h16,19H,4-15H2,1-3H3
InChIKeyQRTSPTZSWGALAW-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.36
Rot. Bonds9

About 4-nonyl-1-propan-2-ylpiperidin-4-ol

4-nonyl-1-propan-2-ylpiperidin-4-ol (PubChem CID 65146910) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-nonyl-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-nonyl-1-propan-2-ylpiperidin-4-ol
PubChem CID65146910
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-nonyl-1-propan-2-ylpiperidin-4-ol
SMILESCCCCCCCCCC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-17(19)12-14-18(15-13-17)16(2)3/h16,19H,4-15H2,1-3H3
InChIKeyQRTSPTZSWGALAW-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-nonyl-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-nonyl-1-propan-2-ylpiperidin-4-ol (CID 65146910) is 4-nonyl-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-nonyl-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-nonyl-1-propan-2-ylpiperidin-4-ol is CCCCCCCCCC1(O)CCN(C(C)C)CC1.
What is the InChIKey of 4-nonyl-1-propan-2-ylpiperidin-4-ol?
The InChIKey is QRTSPTZSWGALAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-17(19)12-14-18(15-13-17)16(2)3/h16,19H,4-15H2,1-3H3.
What are the key properties of 4-nonyl-1-propan-2-ylpiperidin-4-ol?
4-nonyl-1-propan-2-ylpiperidin-4-ol has a molecular weight of 269.47 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 65146910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).