(2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol

C14H27NO2 — CID 10868437

IUPAC(2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol
SMILESCC(C)/C=C(\CO)C[C@](C)(O)[C@@H]1CCCCN1
InChIInChI=1S/C14H27NO2/c1-11(2)8-12(10-16)9-14(3,17)13-6-4-5-7-15-13/h8,11,13,15-17H,4-7,9-10H2,1-3H3/b12-8-/t13-,14-/m0/s1
InChIKeyWNKTYCDFNFKEHR-KGKULNKVSA-N
MW241.37 g/mol
LogP1.84
Rot. Bonds5

About (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol

(2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol (PubChem CID 10868437) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol.

Molecular Properties

Compound Name(2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol
PubChem CID10868437
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol
SMILESCC(C)/C=C(\CO)C[C@](C)(O)[C@@H]1CCCCN1
InChIInChI=1S/C14H27NO2/c1-11(2)8-12(10-16)9-14(3,17)13-6-4-5-7-15-13/h8,11,13,15-17H,4-7,9-10H2,1-3H3/b12-8-/t13-,14-/m0/s1
InChIKeyWNKTYCDFNFKEHR-KGKULNKVSA-N
XLogP1.84
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-Methylpiperidin-2-yl)cyclopent-2-en-1-ol
CID 164752166
4-(5-Methylpiperidin-2-yl)cyclohex-3-en-1-ol
CID 164753318
2-(Cyclohexen-1-yl)-1-morpholin-3-ylpropan-2-ol
CID 106651593
2-(Cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol
CID 106651594
2-(Cycloocten-1-yl)-1-morpholin-3-ylpropan-2-ol
CID 113860244
1-(2,3-Dihydrofuran-4-yl)-1-piperidin-2-ylethanol
CID 130905494
3-(Cyclohexen-1-yl)-6-methylpiperidin-3-ol
CID 130942514

Frequently Asked Questions

What is the IUPAC name of (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol?
The IUPAC name of (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol (CID 10868437) is (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol.
What is the SMILES notation for (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol?
The canonical SMILES for (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol is CC(C)/C=C(\CO)C[C@](C)(O)[C@@H]1CCCCN1.
What is the InChIKey of (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol?
The InChIKey is WNKTYCDFNFKEHR-KGKULNKVSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)8-12(10-16)9-14(3,17)13-6-4-5-7-15-13/h8,11,13,15-17H,4-7,9-10H2,1-3H3/b12-8-/t13-,14-/m0/s1.
What are the key properties of (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol?
(2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol has a molecular weight of 241.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol is sourced from PubChem (CID 10868437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).