N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine

C18H27N3 — CID 63240913

IUPACN-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H27N3/c1-14(2)19-10-15-6-5-9-21(12-15)13-16-11-20-18-8-4-3-7-17(16)18/h3-4,7-8,11,14-15,19-20H,5-6,9-10,12-13H2,1-2H3
InChIKeyXKTUZWDRDXXFFE-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.38
Rot. Bonds5

About N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63240913) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID63240913
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H27N3/c1-14(2)19-10-15-6-5-9-21(12-15)13-16-11-20-18-8-4-3-7-17(16)18/h3-4,7-8,11,14-15,19-20H,5-6,9-10,12-13H2,1-2H3
InChIKeyXKTUZWDRDXXFFE-UHFFFAOYSA-N
XLogP3.38
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 66410814
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 3030428
N-[[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241176
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620
N-[[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241043
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114849863
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104792407
N-[[1-(2-phenylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240509
1-[4-(1H-indol-3-ylmethyl)morpholin-2-yl]ethanamine
CID 115314840
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine (CID 63240913) is N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is XKTUZWDRDXXFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)19-10-15-6-5-9-21(12-15)13-16-11-20-18-8-4-3-7-17(16)18/h3-4,7-8,11,14-15,19-20H,5-6,9-10,12-13H2,1-2H3.
What are the key properties of N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63240913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).