1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine

C23H27N — CID 13069077

IUPAC1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine
SMILESc1ccc2c(c1)C1CC2(CCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C23H27N/c1-6-14-24(15-7-1)16-8-13-23-17-20(18-9-2-4-11-21(18)23)19-10-3-5-12-22(19)23/h2-5,9-12,20H,1,6-8,13-17H2
InChIKeyBNZBJYGEZCZWSY-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.09
Rot. Bonds4

About 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine

1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine (PubChem CID 13069077) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine
PubChem CID13069077
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine
SMILESc1ccc2c(c1)C1CC2(CCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C23H27N/c1-6-14-24(15-7-1)16-8-13-23-17-20(18-9-2-4-11-21(18)23)19-10-3-5-12-22(19)23/h2-5,9-12,20H,1,6-8,13-17H2
InChIKeyBNZBJYGEZCZWSY-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10468648
Isophenindamine
CID 162910
4-Benzyl-1-indan-2-ylmethyl-piperidine
CID 11336800
1'-Benzyl-2,3-dihydrospiro[indene-1,4'-piperidine] hydrochloride
CID 54585888
4-Benzyl-1-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-piperidine
CID 11792956
1'-(Phenylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 4687238
4-Fluoren-9-ylidene-1-methyl-piperidine
CID 14119530
1'-(2-phenylethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 15163144
1'-Hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
CID 19018943
1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidine
CID 22273743
Sandoz 20-438
CID 150202
9-methylaminopropyl-9,10-dihydro-9,10-methanoanthracene.HCl
CID 198404

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine?
The IUPAC name of 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine (CID 13069077) is 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine.
What is the SMILES notation for 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine?
The canonical SMILES for 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine is c1ccc2c(c1)C1CC2(CCCN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine?
The InChIKey is BNZBJYGEZCZWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-6-14-24(15-7-1)16-8-13-23-17-20(18-9-2-4-11-21(18)23)19-10-3-5-12-22(19)23/h2-5,9-12,20H,1,6-8,13-17H2.
What are the key properties of 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine?
1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine has a molecular weight of 317.48 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propyl]piperidine is sourced from PubChem (CID 13069077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).