2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine

C14H21N3 — CID 116939742

IUPAC2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)N1CCNCC1
InChIInChI=1S/C14H21N3/c15-14(17-8-6-16-7-9-17)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14,16H,1-3,6-9,15H2
InChIKeyWSHBMAUBULKEBC-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.04
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine

2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine (PubChem CID 116939742) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
PubChem CID116939742
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)N1CCNCC1
InChIInChI=1S/C14H21N3/c15-14(17-8-6-16-7-9-17)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14,16H,1-3,6-9,15H2
InChIKeyWSHBMAUBULKEBC-UHFFFAOYSA-N
XLogP1.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 116954775
(4-fluorophenyl)-piperazin-1-ylmethanamine
CID 116939727
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
(4-tert-butylphenyl)-piperazin-1-ylmethanamine
CID 116939723
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 82201857
1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 82201862
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
piperazin-1-yl(1H-pyrrol-3-yl)methanamine
CID 116939780
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939767
piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine
CID 116939801

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine (CID 116939742) is 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine is NC(c1ccc2c(c1)CCC2)N1CCNCC1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine?
The InChIKey is WSHBMAUBULKEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-14(17-8-6-16-7-9-17)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14,16H,1-3,6-9,15H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine?
2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine has a molecular weight of 231.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine is sourced from PubChem (CID 116939742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).