(3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol

C13H23NO — CID 793947

IUPAC(3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol
SMILESCC(C)[C@](C)(O)C#CCN1CCCCC1
InChIInChI=1S/C13H23NO/c1-12(2)13(3,15)8-7-11-14-9-5-4-6-10-14/h12,15H,4-6,9-11H2,1-3H3/t13-/m1/s1
InChIKeyQYXAYOSPKSMIHM-CYBMUJFWSA-N
MW209.33 g/mol
LogP1.88
Rot. Bonds2

About (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol

(3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol (PubChem CID 793947) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name(3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol
PubChem CID793947
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol
SMILESCC(C)[C@](C)(O)C#CCN1CCCCC1
InChIInChI=1S/C13H23NO/c1-12(2)13(3,15)8-7-11-14-9-5-4-6-10-14/h12,15H,4-6,9-11H2,1-3H3/t13-/m1/s1
InChIKeyQYXAYOSPKSMIHM-CYBMUJFWSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethynyl-1-methylpiperidin-4-ol
CID 1419099
2-Methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol
CID 692210
4-Hexyn-3-ol, 3-methyl-6-piperidino-
CID 177137
3-Pentyn-2-ol, 2-methyl-5-(1-piperidinyl)-
CID 180676
3-Ethyl-6-(1-piperidinyl)-4-hexyn-3-ol
CID 770249
4-(3-Hydroxy-3-methylbut-1-ynyl)-1-methylpiperidin-4-ol
CID 12229736
Pent-3-yn-2-ol, 2-cyclopropyl-5-(1-piperidyl)-
CID 578823
4-Ethynyl-1,3,5-trimethylpiperidin-4-ol
CID 3541211
1-Tert-butyl-4-ethynyl-3-methylpiperidin-4-ol
CID 4254918
1-(But-3-yn-1-yl)-4-methylpiperidin-4-ol
CID 114286616
2,2,3-Trimethyl-6-piperidylhex-4-yn-3-ol
CID 2840211
Cambridge id 5308671
CID 2840558

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol?
The IUPAC name of (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol (CID 793947) is (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol.
What is the SMILES notation for (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol?
The canonical SMILES for (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol is CC(C)[C@](C)(O)C#CCN1CCCCC1.
What is the InChIKey of (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol?
The InChIKey is QYXAYOSPKSMIHM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2)13(3,15)8-7-11-14-9-5-4-6-10-14/h12,15H,4-6,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol?
(3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol has a molecular weight of 209.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dimethyl-6-piperidin-1-ylhex-4-yn-3-ol is sourced from PubChem (CID 793947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).