N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine

C17H27N3 — CID 63250976

IUPACN-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C17H27N3/c1-18-12-14-5-9-20(10-6-14)13-15-3-4-17-16(11-15)7-8-19(17)2/h3-4,11,14,18H,5-10,12-13H2,1-2H3
InChIKeyMSOOKNACZDXXHY-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.11
Rot. Bonds4

About N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine

N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 63250976) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine
PubChem CID63250976
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C17H27N3/c1-18-12-14-5-9-20(10-6-14)13-15-3-4-17-16(11-15)7-8-19(17)2/h3-4,11,14,18H,5-10,12-13H2,1-2H3
InChIKeyMSOOKNACZDXXHY-UHFFFAOYSA-N
XLogP2.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115316039
3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine
CID 81457613
1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63649779
1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 81437105
3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 63251060
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63248566
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354763
3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine
CID 62097378
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine (CID 63250976) is N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine is CNCC1CCN(Cc2ccc3c(c2)CCN3C)CC1.
What is the InChIKey of N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is MSOOKNACZDXXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-18-12-14-5-9-20(10-6-14)13-15-3-4-17-16(11-15)7-8-19(17)2/h3-4,11,14,18H,5-10,12-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 63250976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).