(3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol

C14H21NO — CID 155107795

IUPAC(3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol
SMILESC=C/C(C)=C\C=C/C(=C)C1CCNC[C@@H]1O
InChIInChI=1S/C14H21NO/c1-4-11(2)6-5-7-12(3)13-8-9-15-10-14(13)16/h4-7,13-16H,1,3,8-10H2,2H3/b7-5-,11-6-/t13?,14-/m0/s1
InChIKeyBAMZODZLLHWAPM-YKVCSXQTSA-N
MW219.33 g/mol
LogP2.20
Rot. Bonds4

About (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol

(3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol (PubChem CID 155107795) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol
PubChem CID155107795
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol
SMILESC=C/C(C)=C\C=C/C(=C)C1CCNC[C@@H]1O
InChIInChI=1S/C14H21NO/c1-4-11(2)6-5-7-12(3)13-8-9-15-10-14(13)16/h4-7,13-16H,1,3,8-10H2,2H3/b7-5-,11-6-/t13?,14-/m0/s1
InChIKeyBAMZODZLLHWAPM-YKVCSXQTSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol?
The IUPAC name of (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol (CID 155107795) is (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol?
The canonical SMILES for (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol is C=C/C(C)=C\C=C/C(=C)C1CCNC[C@@H]1O.
What is the InChIKey of (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol?
The InChIKey is BAMZODZLLHWAPM-YKVCSXQTSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-11(2)6-5-7-12(3)13-8-9-15-10-14(13)16/h4-7,13-16H,1,3,8-10H2,2H3/b7-5-,11-6-/t13?,14-/m0/s1.
What are the key properties of (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol?
(3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3Z,5Z)-6-methylocta-1,3,5,7-tetraen-2-yl]piperidin-3-ol is sourced from PubChem (CID 155107795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).