1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol

C19H38N2O2 — CID 174411658

IUPAC1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol
SMILESCCCCNC1CC(C)(C)N(OC2(O)CCCCC2)C(C)(C)C1
InChIInChI=1S/C19H38N2O2/c1-6-7-13-20-16-14-17(2,3)21(18(4,5)15-16)23-19(22)11-9-8-10-12-19/h16,20,22H,6-15H2,1-5H3
InChIKeyUCEABMNNXFAGEQ-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol

1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol (PubChem CID 174411658) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol
PubChem CID174411658
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol
SMILESCCCCNC1CC(C)(C)N(OC2(O)CCCCC2)C(C)(C)C1
InChIInChI=1S/C19H38N2O2/c1-6-7-13-20-16-14-17(2,3)21(18(4,5)15-16)23-19(22)11-9-8-10-12-19/h16,20,22H,6-15H2,1-5H3
InChIKeyUCEABMNNXFAGEQ-UHFFFAOYSA-N
XLogP3.98
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol?
The IUPAC name of 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol (CID 174411658) is 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol?
The canonical SMILES for 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol is CCCCNC1CC(C)(C)N(OC2(O)CCCCC2)C(C)(C)C1.
What is the InChIKey of 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol?
The InChIKey is UCEABMNNXFAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-6-7-13-20-16-14-17(2,3)21(18(4,5)15-16)23-19(22)11-9-8-10-12-19/h16,20,22H,6-15H2,1-5H3.
What are the key properties of 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol?
1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol has a molecular weight of 326.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 174411658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).