1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine

C23H41N — CID 10544512

IUPAC1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine
SMILESCCCCC[C@H]1[C@@H]2CCC[C@@H]2CC1(C1CCCC1)N1CCCCC1
InChIInChI=1S/C23H41N/c1-2-3-5-15-22-21-14-10-11-19(21)18-23(22,20-12-6-7-13-20)24-16-8-4-9-17-24/h19-22H,2-18H2,1H3/t19-,21-,22+,23?/m1/s1
InChIKeyLNSADYGNZASBQG-MEMABINQSA-N
MW331.59 g/mol
LogP6.42
Rot. Bonds6

About 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine

1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine (PubChem CID 10544512) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine.

Molecular Properties

Compound Name1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine
PubChem CID10544512
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC Name1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine
SMILESCCCCC[C@H]1[C@@H]2CCC[C@@H]2CC1(C1CCCC1)N1CCCCC1
InChIInChI=1S/C23H41N/c1-2-3-5-15-22-21-14-10-11-19(21)18-23(22,20-12-6-7-13-20)24-16-8-4-9-17-24/h19-22H,2-18H2,1H3/t19-,21-,22+,23?/m1/s1
InChIKeyLNSADYGNZASBQG-MEMABINQSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine with MolForge

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Related Compounds

1-ethyl-2-hexadecylpiperidine
CID 159279911
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
2-nonylpiperidine-1-carboxylic acid
CID 69469776
1-methyl-2-pentylbicyclo[1.1.0]butane
CID 90877052
2-[3-(5-bicyclo[7.7.0]hexadecanyl)propyl]-3-butyl-1-methyl-7-octylazepane
CID 138663198
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
(2S)-2-decyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 54058077
1-pentyl-2-propylpiperidine
CID 54429991
7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene
CID 58552634
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine?
The IUPAC name of 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine (CID 10544512) is 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine.
What is the SMILES notation for 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine?
The canonical SMILES for 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine is CCCCC[C@H]1[C@@H]2CCC[C@@H]2CC1(C1CCCC1)N1CCCCC1.
What is the InChIKey of 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine?
The InChIKey is LNSADYGNZASBQG-MEMABINQSA-N. The full InChI is InChI=1S/C23H41N/c1-2-3-5-15-22-21-14-10-11-19(21)18-23(22,20-12-6-7-13-20)24-16-8-4-9-17-24/h19-22H,2-18H2,1H3/t19-,21-,22+,23?/m1/s1.
What are the key properties of 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine?
1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine has a molecular weight of 331.59 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine is sourced from PubChem (CID 10544512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).