1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine

C31H31NO2 — CID 70177271

IUPAC1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine
SMILESCOc1ccc2c3c(ccc2c1)CC(c1ccccc1)(c1ccc(N2CCCCC2)cc1)CO3
InChIInChI=1S/C31H31NO2/c1-33-28-16-17-29-23(20-28)10-11-24-21-31(22-34-30(24)29,25-8-4-2-5-9-25)26-12-14-27(15-13-26)32-18-6-3-7-19-32/h2,4-5,8-17,20H,3,6-7,18-19,21-22H2,1H3
InChIKeyYRDPNFVTLXHWBC-UHFFFAOYSA-N
MW449.59 g/mol
LogP6.76
Rot. Bonds4

About 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine

1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine (PubChem CID 70177271) has the molecular formula C31H31NO2 and a molecular weight of 449.59 g/mol. Its IUPAC name is 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine
PubChem CID70177271
Molecular FormulaC31H31NO2
Molecular Weight449.59 g/mol
Exact Mass449.24
IUPAC Name1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine
SMILESCOc1ccc2c3c(ccc2c1)CC(c1ccccc1)(c1ccc(N2CCCCC2)cc1)CO3
InChIInChI=1S/C31H31NO2/c1-33-28-16-17-29-23(20-28)10-11-24-21-31(22-34-30(24)29,25-8-4-2-5-9-25)26-12-14-27(15-13-26)32-18-6-3-7-19-32/h2,4-5,8-17,20H,3,6-7,18-19,21-22H2,1H3
InChIKeyYRDPNFVTLXHWBC-UHFFFAOYSA-N
XLogP6.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine?
The IUPAC name of 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine (CID 70177271) is 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine.
What is the SMILES notation for 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine?
The canonical SMILES for 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine is COc1ccc2c3c(ccc2c1)CC(c1ccccc1)(c1ccc(N2CCCCC2)cc1)CO3.
What is the InChIKey of 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine?
The InChIKey is YRDPNFVTLXHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO2/c1-33-28-16-17-29-23(20-28)10-11-24-21-31(22-34-30(24)29,25-8-4-2-5-9-25)26-12-14-27(15-13-26)32-18-6-3-7-19-32/h2,4-5,8-17,20H,3,6-7,18-19,21-22H2,1H3.
What are the key properties of 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine?
1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine has a molecular weight of 449.59 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-methoxy-3-phenyl-2,4-dihydrobenzo[h]chromen-3-yl)phenyl]piperidine is sourced from PubChem (CID 70177271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).