1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine

C18H27N3 — CID 61203945

IUPAC1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
SMILESCCn1cc(CN2CCCC(CNC)C2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-3-21-14-16(17-8-4-5-9-18(17)21)13-20-10-6-7-15(12-20)11-19-2/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3
InChIKeyHEEPAQBUTDCIAQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.09
Rot. Bonds5

About 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine

1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 61203945) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID61203945
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
SMILESCCn1cc(CN2CCCC(CNC)C2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-3-21-14-16(17-8-4-5-9-18(17)21)13-20-10-6-7-15(12-20)11-19-2/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3
InChIKeyHEEPAQBUTDCIAQ-UHFFFAOYSA-N
XLogP3.09
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068055
N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 63263270
1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700
1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
CID 65418728
2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 65069282
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51872410
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63596895
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311556
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine (CID 61203945) is 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine is CCn1cc(CN2CCCC(CNC)C2)c2ccccc21.
What is the InChIKey of 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is HEEPAQBUTDCIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-21-14-16(17-8-4-5-9-18(17)21)13-20-10-6-7-15(12-20)11-19-2/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 61203945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).