4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol

C25H31NO — CID 21480586

IUPAC4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESCCCCC1(O)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C25H31NO/c1-2-3-12-24(27)13-15-26(16-14-24)18-25-17-21(19-8-4-6-10-22(19)25)20-9-5-7-11-23(20)25/h4-11,21,27H,2-3,12-18H2,1H3
InChIKeyPTFPPYWRLWVAPX-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.84
Rot. Bonds5

About 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol

4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (PubChem CID 21480586) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
PubChem CID21480586
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESCCCCC1(O)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C25H31NO/c1-2-3-12-24(27)13-15-26(16-14-24)18-25-17-21(19-8-4-6-10-22(19)25)20-9-5-7-11-23(20)25/h4-11,21,27H,2-3,12-18H2,1H3
InChIKeyPTFPPYWRLWVAPX-UHFFFAOYSA-N
XLogP4.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol with MolForge

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Related Compounds

1-(2-Chloro-9,10-dihydro-9,10-methanoanthracen-9-ylmethyl)-4-(1,1-dimethylethyl)piperidin-4-ol
CID 21480687
1-Methyl-4-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine
CID 44296099
4-Tert-butyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperidin-4-ol
CID 3053249
1-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 21480608
4-(4-Fluorophenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
CID 21480683
4-tert-butyl-1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-ol
CID 9887004
N,N-dimethyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)methanamine
CID 12507133
9-gamma-Piperidinopropyl-9,10-dihydro-9,10-methanoanthracene
CID 13069077
N-methyl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)ethanamine
CID 13069092
1-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidine
CID 13069099
4-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
CID 13069100
N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
CID 13069109

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The IUPAC name of 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (CID 21480586) is 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The canonical SMILES for 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol is CCCCC1(O)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The InChIKey is PTFPPYWRLWVAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO/c1-2-3-12-24(27)13-15-26(16-14-24)18-25-17-21(19-8-4-6-10-22(19)25)20-9-5-7-11-23(20)25/h4-11,21,27H,2-3,12-18H2,1H3.
What are the key properties of 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol has a molecular weight of 361.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol is sourced from PubChem (CID 21480586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).