1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol

C21H21Cl2NO — CID 90668901

IUPAC1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2ccccc12
InChIInChI=1S/C21H21Cl2NO/c22-13-9-17-15-6-1-2-7-16(15)19(12-18(17)20(23)10-13)21(25)11-14-5-3-4-8-24-14/h1-2,6-7,9-10,12,14,21,24-25H,3-5,8,11H2
InChIKeyMEDAUDVOOZRWLE-UHFFFAOYSA-N
MW374.31 g/mol
LogP5.87
Rot. Bonds3

About 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol

1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol (PubChem CID 90668901) has the molecular formula C21H21Cl2NO and a molecular weight of 374.31 g/mol. Its IUPAC name is 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol
PubChem CID90668901
Molecular FormulaC21H21Cl2NO
Molecular Weight374.31 g/mol
Exact Mass373.10
IUPAC Name1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2ccccc12
InChIInChI=1S/C21H21Cl2NO/c22-13-9-17-15-6-1-2-7-16(15)19(12-18(17)20(23)10-13)21(25)11-14-5-3-4-8-24-14/h1-2,6-7,9-10,12,14,21,24-25H,3-5,8,11H2
InChIKeyMEDAUDVOOZRWLE-UHFFFAOYSA-N
XLogP5.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.31
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-2-yl-1-(2,3,6-trichlorophenanthren-9-yl)ethanol
CID 90668908
1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
CID 90669141
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
2-(azepan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 82780210
2-piperidin-2-yl-1-(2-propan-2-ylquinolin-4-yl)ethanol
CID 90669677
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol
CID 79560663
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
1-[6,7-dichloro-2,4-bis(trifluoromethyl)phenanthren-9-yl]-2-piperidin-2-ylethanol
CID 90668830

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol?
The IUPAC name of 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol (CID 90668901) is 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol?
The canonical SMILES for 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol is OC(CC1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2ccccc12.
What is the InChIKey of 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol?
The InChIKey is MEDAUDVOOZRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO/c22-13-9-17-15-6-1-2-7-16(15)19(12-18(17)20(23)10-13)21(25)11-14-5-3-4-8-24-14/h1-2,6-7,9-10,12,14,21,24-25H,3-5,8,11H2.
What are the key properties of 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol?
1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol has a molecular weight of 374.31 g/mol, XLogP of 5.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol is sourced from PubChem (CID 90668901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).