N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine

C16H25N3 — CID 54902685

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine
SMILESc1ccc2c(c1)CCN2CCCNC1CCNCC1
InChIInChI=1S/C16H25N3/c1-2-5-16-14(4-1)8-13-19(16)12-3-9-18-15-6-10-17-11-7-15/h1-2,4-5,15,17-18H,3,6-13H2
InChIKeyDWIQLWSSLWOYJR-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.78
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine

N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine (PubChem CID 54902685) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine
PubChem CID54902685
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine
SMILESc1ccc2c(c1)CCN2CCCNC1CCNCC1
InChIInChI=1S/C16H25N3/c1-2-5-16-14(4-1)8-13-19(16)12-3-9-18-15-6-10-17-11-7-15/h1-2,4-5,15,17-18H,3,6-13H2
InChIKeyDWIQLWSSLWOYJR-UHFFFAOYSA-N
XLogP1.78
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine (CID 54902685) is N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine is c1ccc2c(c1)CCN2CCCNC1CCNCC1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine?
The InChIKey is DWIQLWSSLWOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-5-16-14(4-1)8-13-19(16)12-3-9-18-15-6-10-17-11-7-15/h1-2,4-5,15,17-18H,3,6-13H2.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine?
N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine has a molecular weight of 259.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 54902685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).