(1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C19H35N3 — CID 124757728

IUPAC(1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCN1CCC(N2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C19H35N3/c1-20-12-9-17(10-13-20)22-15-14-21-11-5-8-18(21)19(22)16-6-3-2-4-7-16/h16-19H,2-15H2,1H3/t18-,19-/m1/s1
InChIKeyWYGYCTLJQPBISB-RTBURBONSA-N
MW305.51 g/mol
LogP2.81
Rot. Bonds2

About (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 124757728) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID124757728
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name(1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCN1CCC(N2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C19H35N3/c1-20-12-9-17(10-13-20)22-15-14-21-11-5-8-18(21)19(22)16-6-3-2-4-7-16/h16-19H,2-15H2,1H3/t18-,19-/m1/s1
InChIKeyWYGYCTLJQPBISB-RTBURBONSA-N
XLogP2.81
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dicyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 10379489
(1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6555286
(4aS,8aR)-1-(1-methylpiperidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100898605
(1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 11905941
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
(1S,8aR)-2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 51637592
2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 170022407
(1R,8aS)-1-cyclohexyl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124749486
1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 2867964
(1R,8aR)-1-cyclohexyl-2-[(3,4-dimethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124756500
(1S,8aR)-1-cyclohexyl-2-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 11905943
ethane;1-methyl-4-piperidin-1-ylpiperidine;propane
CID 143818996

Frequently Asked Questions

What is the IUPAC name of (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 124757728) is (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CN1CCC(N2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)CC1.
What is the InChIKey of (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is WYGYCTLJQPBISB-RTBURBONSA-N. The full InChI is InChI=1S/C19H35N3/c1-20-12-9-17(10-13-20)22-15-14-21-11-5-8-18(21)19(22)16-6-3-2-4-7-16/h16-19H,2-15H2,1H3/t18-,19-/m1/s1.
What are the key properties of (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 305.51 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8aR)-1-cyclohexyl-2-(1-methylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 124757728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).