1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol

C23H37ClN2O — CID 143037734

IUPAC1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol
SMILESC/C=C(Cl)\C=C/C=C/C(CN1CCN(CC2CC2)CC1)C1(O)CCCCC1
InChIInChI=1S/C23H37ClN2O/c1-2-22(24)9-5-4-8-21(23(27)12-6-3-7-13-23)19-26-16-14-25(15-17-26)18-20-10-11-20/h2,4-5,8-9,20-21,27H,3,6-7,10-19H2,1H3/b8-4+,9-5-,22-2+
InChIKeyDZBSXSANTSBVOL-HVDXWZNDSA-N
MW393.02 g/mol
LogP4.58
Rot. Bonds8

About 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol

1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol (PubChem CID 143037734) has the molecular formula C23H37ClN2O and a molecular weight of 393.02 g/mol. Its IUPAC name is 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol
PubChem CID143037734
Molecular FormulaC23H37ClN2O
Molecular Weight393.02 g/mol
Exact Mass392.26
IUPAC Name1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol
SMILESC/C=C(Cl)\C=C/C=C/C(CN1CCN(CC2CC2)CC1)C1(O)CCCCC1
InChIInChI=1S/C23H37ClN2O/c1-2-22(24)9-5-4-8-21(23(27)12-6-3-7-13-23)19-26-16-14-25(15-17-26)18-20-10-11-20/h2,4-5,8-9,20-21,27H,3,6-7,10-19H2,1H3/b8-4+,9-5-,22-2+
InChIKeyDZBSXSANTSBVOL-HVDXWZNDSA-N
XLogP4.58
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.02
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

1-Cyclohexa-2,4-dien-1-yl-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol
CID 69302229
1-[1-(3-Chlorocyclohexa-2,4-dien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 163459898

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol (CID 143037734) is 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol is C/C=C(Cl)\C=C/C=C/C(CN1CCN(CC2CC2)CC1)C1(O)CCCCC1.
What is the InChIKey of 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol?
The InChIKey is DZBSXSANTSBVOL-HVDXWZNDSA-N. The full InChI is InChI=1S/C23H37ClN2O/c1-2-22(24)9-5-4-8-21(23(27)12-6-3-7-13-23)19-26-16-14-25(15-17-26)18-20-10-11-20/h2,4-5,8-9,20-21,27H,3,6-7,10-19H2,1H3/b8-4+,9-5-,22-2+.
What are the key properties of 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol?
1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol has a molecular weight of 393.02 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z,7E)-7-chloro-1-[4-(cyclopropylmethyl)piperazin-1-yl]nona-3,5,7-trien-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 143037734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).