[(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol

C14H27NO — CID 156519123

IUPAC[(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol
SMILESCCC/C=C(\C)CC1(CO)CCN[C@H](C)C1
InChIInChI=1S/C14H27NO/c1-4-5-6-12(2)9-14(11-16)7-8-15-13(3)10-14/h6,13,15-16H,4-5,7-11H2,1-3H3/b12-6+/t13-,14?/m1/s1
InChIKeyGZVLAGMEYUOQAC-ZEECBQICSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds5

About [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol

[(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol (PubChem CID 156519123) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol
PubChem CID156519123
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol
SMILESCCC/C=C(\C)CC1(CO)CCN[C@H](C)C1
InChIInChI=1S/C14H27NO/c1-4-5-6-12(2)9-14(11-16)7-8-15-13(3)10-14/h6,13,15-16H,4-5,7-11H2,1-3H3/b12-6+/t13-,14?/m1/s1
InChIKeyGZVLAGMEYUOQAC-ZEECBQICSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol?
The IUPAC name of [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol (CID 156519123) is [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol.
What is the SMILES notation for [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol?
The canonical SMILES for [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol is CCC/C=C(\C)CC1(CO)CCN[C@H](C)C1.
What is the InChIKey of [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol?
The InChIKey is GZVLAGMEYUOQAC-ZEECBQICSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-6-12(2)9-14(11-16)7-8-15-13(3)10-14/h6,13,15-16H,4-5,7-11H2,1-3H3/b12-6+/t13-,14?/m1/s1.
What are the key properties of [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol?
[(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol is sourced from PubChem (CID 156519123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).