1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine

C25H32N2 — CID 71530997

IUPAC1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
SMILESc1cc2c(cc1N1CCCCC1)CCCc1cc(N3CCCCC3)ccc1-2
InChIInChI=1S/C25H32N2/c1-3-14-26(15-4-1)22-10-12-24-20(18-22)8-7-9-21-19-23(11-13-25(21)24)27-16-5-2-6-17-27/h10-13,18-19H,1-9,14-17H2
InChIKeyWRWFUCUKOAVOME-UHFFFAOYSA-N
MW360.55 g/mol
LogP5.82
Rot. Bonds2

About 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine

1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine (PubChem CID 71530997) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine.

Molecular Properties

Compound Name1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
PubChem CID71530997
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
SMILESc1cc2c(cc1N1CCCCC1)CCCc1cc(N3CCCCC3)ccc1-2
InChIInChI=1S/C25H32N2/c1-3-14-26(15-4-1)22-10-12-24-20(18-22)8-7-9-21-19-23(11-13-25(21)24)27-16-5-2-6-17-27/h10-13,18-19H,1-9,14-17H2
InChIKeyWRWFUCUKOAVOME-UHFFFAOYSA-N
XLogP5.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(13-nitro-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
CID 45277286
6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one
CID 13179501
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(3,4-dihydro-1H-isochromen-6-yl)piperidine
CID 175887953
1-(3,4-dihydro-1H-isochromen-6-yl)pyrrolidine
CID 11171704
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole
CID 168515104
6-piperidin-1-yl-1,2,3,4-tetrahydroquinolin-3-ol
CID 107447221
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172789677

Frequently Asked Questions

What is the IUPAC name of 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine?
The IUPAC name of 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine (CID 71530997) is 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine.
What is the SMILES notation for 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine?
The canonical SMILES for 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine is c1cc2c(cc1N1CCCCC1)CCCc1cc(N3CCCCC3)ccc1-2.
What is the InChIKey of 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine?
The InChIKey is WRWFUCUKOAVOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/c1-3-14-26(15-4-1)22-10-12-24-20(18-22)8-7-9-21-19-23(11-13-25(21)24)27-16-5-2-6-17-27/h10-13,18-19H,1-9,14-17H2.
What are the key properties of 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine?
1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine has a molecular weight of 360.55 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine is sourced from PubChem (CID 71530997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).