4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine

C29H29N — CID 174397832

IUPAC4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine
SMILESC1=c2c(ccc3c2=CCCC3N2CCC(c3ccccc3)CC2)-c2ccccc2C1
InChIInChI=1S/C29H29N/c1-2-7-21(8-3-1)22-17-19-30(20-18-22)29-12-6-11-25-27-14-13-23-9-4-5-10-24(23)26(27)15-16-28(25)29/h1-5,7-11,14-16,22,29H,6,12-13,17-20H2
InChIKeyIZVKPTPKCMIODE-UHFFFAOYSA-N
MW391.56 g/mol
LogP5.19
Rot. Bonds2

About 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine

4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine (PubChem CID 174397832) has the molecular formula C29H29N and a molecular weight of 391.56 g/mol. Its IUPAC name is 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine.

Molecular Properties

Compound Name4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine
PubChem CID174397832
Molecular FormulaC29H29N
Molecular Weight391.56 g/mol
Exact Mass391.23
IUPAC Name4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine
SMILESC1=c2c(ccc3c2=CCCC3N2CCC(c3ccccc3)CC2)-c2ccccc2C1
InChIInChI=1S/C29H29N/c1-2-7-21(8-3-1)22-17-19-30(20-18-22)29-12-6-11-25-27-14-13-23-9-4-5-10-24(23)26(27)15-16-28(25)29/h1-5,7-11,14-16,22,29H,6,12-13,17-20H2
InChIKeyIZVKPTPKCMIODE-UHFFFAOYSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine
CID 175248018
1,2,3,6-tetrahydrochrysen-1-yl benzoate
CID 174455552
(4-fluorophenyl)-(1,2,3,6-tetrahydrochrysen-1-yl)methanone
CID 174525414
2-chloro-5-[3-methyl-2,6-dioxo-5-(1,2,3,6-tetrahydrochrysen-1-yl)-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid
CID 175269324
2-(4-phenylpiperidin-1-yl)cyclohexan-1-one
CID 15925759
benzoyl benzoate;1,2,3,6-tetrahydrochrysene
CID 174591475
pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene
CID 174819544
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
1,6-dihydrochrysene
CID 141333626
1-fluoro-4-phenylpiperidine
CID 143940552
1-bromo-4-phenylpiperidine
CID 89020756
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine?
The IUPAC name of 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine (CID 174397832) is 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine.
What is the SMILES notation for 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine?
The canonical SMILES for 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine is C1=c2c(ccc3c2=CCCC3N2CCC(c3ccccc3)CC2)-c2ccccc2C1.
What is the InChIKey of 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine?
The InChIKey is IZVKPTPKCMIODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N/c1-2-7-21(8-3-1)22-17-19-30(20-18-22)29-12-6-11-25-27-14-13-23-9-4-5-10-24(23)26(27)15-16-28(25)29/h1-5,7-11,14-16,22,29H,6,12-13,17-20H2.
What are the key properties of 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine?
4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine has a molecular weight of 391.56 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine is sourced from PubChem (CID 174397832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).