ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol

C14H27NO — CID 144575297

IUPACethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol
SMILESC=C(/C=C\C)CN1CCCCC1CO.CC
InChIInChI=1S/C12H21NO.C2H6/c1-3-6-11(2)9-13-8-5-4-7-12(13)10-14;1-2/h3,6,12,14H,2,4-5,7-10H2,1H3;1-2H3/b6-3-;
InChIKeyNRQMYGIKFVHIQK-AQPBACSKSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds4

About ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol

ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol (PubChem CID 144575297) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Nameethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol
PubChem CID144575297
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol
SMILESC=C(/C=C\C)CN1CCCCC1CO.CC
InChIInChI=1S/C12H21NO.C2H6/c1-3-6-11(2)9-13-8-5-4-7-12(13)10-14;1-2/h3,6,12,14H,2,4-5,7-10H2,1H3;1-2H3/b6-3-;
InChIKeyNRQMYGIKFVHIQK-AQPBACSKSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol?
The IUPAC name of ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol (CID 144575297) is ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol.
What is the SMILES notation for ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol?
The canonical SMILES for ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol is C=C(/C=C\C)CN1CCCCC1CO.CC.
What is the InChIKey of ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol?
The InChIKey is NRQMYGIKFVHIQK-AQPBACSKSA-N. The full InChI is InChI=1S/C12H21NO.C2H6/c1-3-6-11(2)9-13-8-5-4-7-12(13)10-14;1-2/h3,6,12,14H,2,4-5,7-10H2,1H3;1-2H3/b6-3-;.
What are the key properties of ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol?
ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]methanol is sourced from PubChem (CID 144575297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).