methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)

C48H76N4 — CID 165092457

IUPACmethane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
SMILESC.CC(C)c1ccc(N2CCC(N3CCCCC3)CC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H30N2.2C14H21N.CH4/c1-16(2)17-6-8-18(9-7-17)21-14-10-19(11-15-21)20-12-4-3-5-13-20;2*1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;/h6-9,16,19H,3-5,10-15H2,1-2H3;2*6-9,12H,3-5,10-11H2,1-2H3;1H4
InChIKeyWYFCKXAGNSOXIA-UHFFFAOYSA-N
MW709.16 g/mol
LogP12.50
Rot. Bonds7

About methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)

methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine) (PubChem CID 165092457) has the molecular formula C48H76N4 and a molecular weight of 709.16 g/mol. Its IUPAC name is methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine).

Molecular Properties

Compound Namemethane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
PubChem CID165092457
Molecular FormulaC48H76N4
Molecular Weight709.16 g/mol
Exact Mass708.61
IUPAC Namemethane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
SMILESC.CC(C)c1ccc(N2CCC(N3CCCCC3)CC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H30N2.2C14H21N.CH4/c1-16(2)17-6-8-18(9-7-17)21-14-10-19(11-15-21)20-12-4-3-5-13-20;2*1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;/h6-9,16,19H,3-5,10-15H2,1-2H3;2*6-9,12H,3-5,10-11H2,1-2H3;1H4
InChIKeyWYFCKXAGNSOXIA-UHFFFAOYSA-N
XLogP12.50
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.16
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine) with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816
2-(4-propan-2-ylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929962
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
1-(3-propan-2-ylcyclobutyl)-4-(4-propan-2-ylphenyl)piperazine
CID 178164584
(1R)-1-[5-(4-piperidin-1-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83110821
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
4-(4-piperidin-1-ylpiperidin-1-yl)benzenesulfonic acid
CID 22146992
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
1-(4-methylsulfonylphenyl)-4-pyrrolidin-1-ylazepane
CID 136529901
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037

Frequently Asked Questions

What is the IUPAC name of methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)?
The IUPAC name of methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine) (CID 165092457) is methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine).
What is the SMILES notation for methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)?
The canonical SMILES for methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine) is C.CC(C)c1ccc(N2CCC(N3CCCCC3)CC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)?
The InChIKey is WYFCKXAGNSOXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2.2C14H21N.CH4/c1-16(2)17-6-8-18(9-7-17)21-14-10-19(11-15-21)20-12-4-3-5-13-20;2*1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;/h6-9,16,19H,3-5,10-15H2,1-2H3;2*6-9,12H,3-5,10-11H2,1-2H3;1H4.
What are the key properties of methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)?
methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine) has a molecular weight of 709.16 g/mol, XLogP of 12.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine) is sourced from PubChem (CID 165092457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).