(Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal

C24H25NO — CID 134868209

IUPAC(Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal
SMILESO=C/C(=C\C1=C(N2CCCCC2)Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C24H25NO/c26-18-23(19-9-3-1-4-10-19)16-22-15-20-11-5-6-12-21(20)17-24(22)25-13-7-2-8-14-25/h1,3-6,9-12,16,18H,2,7-8,13-15,17H2/b23-16+
InChIKeyCEPIEHZLRXUKAL-XQNSMLJCSA-N
MW343.47 g/mol
LogP4.81
Rot. Bonds4

About (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal

(Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal (PubChem CID 134868209) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal
PubChem CID134868209
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal
SMILESO=C/C(=C\C1=C(N2CCCCC2)Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C24H25NO/c26-18-23(19-9-3-1-4-10-19)16-22-15-20-11-5-6-12-21(20)17-24(22)25-13-7-2-8-14-25/h1,3-6,9-12,16,18H,2,7-8,13-15,17H2/b23-16+
InChIKeyCEPIEHZLRXUKAL-XQNSMLJCSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal?
The IUPAC name of (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal (CID 134868209) is (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal.
What is the SMILES notation for (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal?
The canonical SMILES for (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal is O=C/C(=C\C1=C(N2CCCCC2)Cc2ccccc2C1)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal?
The InChIKey is CEPIEHZLRXUKAL-XQNSMLJCSA-N. The full InChI is InChI=1S/C24H25NO/c26-18-23(19-9-3-1-4-10-19)16-22-15-20-11-5-6-12-21(20)17-24(22)25-13-7-2-8-14-25/h1,3-6,9-12,16,18H,2,7-8,13-15,17H2/b23-16+.
What are the key properties of (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal?
(Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal has a molecular weight of 343.47 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-(3-piperidin-1-yl-1,4-dihydronaphthalen-2-yl)prop-2-enal is sourced from PubChem (CID 134868209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).