8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole

C20H30N2 — CID 70436733

IUPAC8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole
SMILESCC1=C2CCCCC2N2C=CC(C)(C)C(N3CCCCC3)=C12
InChIInChI=1S/C20H30N2/c1-15-16-9-5-6-10-17(16)22-14-11-20(2,3)19(18(15)22)21-12-7-4-8-13-21/h11,14,17H,4-10,12-13H2,1-3H3
InChIKeyRCVIGOZJOMKVMC-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.81
Rot. Bonds1

About 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole

8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole (PubChem CID 70436733) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole.

Molecular Properties

Compound Name8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole
PubChem CID70436733
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole
SMILESCC1=C2CCCCC2N2C=CC(C)(C)C(N3CCCCC3)=C12
InChIInChI=1S/C20H30N2/c1-15-16-9-5-6-10-17(16)22-14-11-20(2,3)19(18(15)22)21-12-7-4-8-13-21/h11,14,17H,4-10,12-13H2,1-3H3
InChIKeyRCVIGOZJOMKVMC-UHFFFAOYSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole?
The IUPAC name of 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole (CID 70436733) is 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole.
What is the SMILES notation for 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole?
The canonical SMILES for 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole is CC1=C2CCCCC2N2C=CC(C)(C)C(N3CCCCC3)=C12.
What is the InChIKey of 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole?
The InChIKey is RCVIGOZJOMKVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-15-16-9-5-6-10-17(16)22-14-11-20(2,3)19(18(15)22)21-12-7-4-8-13-21/h11,14,17H,4-10,12-13H2,1-3H3.
What are the key properties of 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole?
8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole has a molecular weight of 298.47 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,10-trimethyl-9-piperidin-1-yl-2,3,4,4a-tetrahydro-1H-pyrido[1,2-a]indole is sourced from PubChem (CID 70436733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).