4-(4-methylpentyl)-1-propylpiperidin-4-ol

C14H29NO — CID 83158060

IUPAC4-(4-methylpentyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(CCCC(C)C)CC1
InChIInChI=1S/C14H29NO/c1-4-10-15-11-8-14(16,9-12-15)7-5-6-13(2)3/h13,16H,4-12H2,1-3H3
InChIKeyRYHCVGSGNIGZQA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds6

About 4-(4-methylpentyl)-1-propylpiperidin-4-ol

4-(4-methylpentyl)-1-propylpiperidin-4-ol (PubChem CID 83158060) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(4-methylpentyl)-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-methylpentyl)-1-propylpiperidin-4-ol
PubChem CID83158060
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(4-methylpentyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(CCCC(C)C)CC1
InChIInChI=1S/C14H29NO/c1-4-10-15-11-8-14(16,9-12-15)7-5-6-13(2)3/h13,16H,4-12H2,1-3H3
InChIKeyRYHCVGSGNIGZQA-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentyl)-1-propylpiperidin-4-ol?
The IUPAC name of 4-(4-methylpentyl)-1-propylpiperidin-4-ol (CID 83158060) is 4-(4-methylpentyl)-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-(4-methylpentyl)-1-propylpiperidin-4-ol?
The canonical SMILES for 4-(4-methylpentyl)-1-propylpiperidin-4-ol is CCCN1CCC(O)(CCCC(C)C)CC1.
What is the InChIKey of 4-(4-methylpentyl)-1-propylpiperidin-4-ol?
The InChIKey is RYHCVGSGNIGZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-10-15-11-8-14(16,9-12-15)7-5-6-13(2)3/h13,16H,4-12H2,1-3H3.
What are the key properties of 4-(4-methylpentyl)-1-propylpiperidin-4-ol?
4-(4-methylpentyl)-1-propylpiperidin-4-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentyl)-1-propylpiperidin-4-ol is sourced from PubChem (CID 83158060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).