N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride

C18H30ClN3 — CID 120848989

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride
SMILESCCN1CCC(N(C)Cc2cccc3c2NCC3)CC1C.Cl
InChIInChI=1S/C18H29N3.ClH/c1-4-21-11-9-17(12-14(21)2)20(3)13-16-7-5-6-15-8-10-19-18(15)16;/h5-7,14,17,19H,4,8-13H2,1-3H3;1H
InChIKeyXXYHUAGEUWYWOR-UHFFFAOYSA-N
MW323.91 g/mol
LogP3.38
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120848989) has the molecular formula C18H30ClN3 and a molecular weight of 323.91 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120848989
Molecular FormulaC18H30ClN3
Molecular Weight323.91 g/mol
Exact Mass323.21
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride
SMILESCCN1CCC(N(C)Cc2cccc3c2NCC3)CC1C.Cl
InChIInChI=1S/C18H29N3.ClH/c1-4-21-11-9-17(12-14(21)2)20(3)13-16-7-5-6-15-8-10-19-18(15)16;/h5-7,14,17,19H,4,8-13H2,1-3H3;1H
InChIKeyXXYHUAGEUWYWOR-UHFFFAOYSA-N
XLogP3.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride (CID 120848989) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride is CCN1CCC(N(C)Cc2cccc3c2NCC3)CC1C.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is XXYHUAGEUWYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3.ClH/c1-4-21-11-9-17(12-14(21)2)20(3)13-16-7-5-6-15-8-10-19-18(15)16;/h5-7,14,17,19H,4,8-13H2,1-3H3;1H.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 323.91 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120848989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).