1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate

C16H25N3O — CID 21128537

IUPAC1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
SMILESCn1cc(CCN2CCC(N)CC2)c2ccccc21.O
InChIInChI=1S/C16H23N3.H2O/c1-18-12-13(15-4-2-3-5-16(15)18)6-9-19-10-7-14(17)8-11-19;/h2-5,12,14H,6-11,17H2,1H3;1H2
InChIKeyOVTJWNBDISOGKZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.32
Rot. Bonds3

About 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate

1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate (PubChem CID 21128537) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate.

Molecular Properties

Compound Name1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
PubChem CID21128537
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
SMILESCn1cc(CCN2CCC(N)CC2)c2ccccc21.O
InChIInChI=1S/C16H23N3.H2O/c1-18-12-13(15-4-2-3-5-16(15)18)6-9-19-10-7-14(17)8-11-19;/h2-5,12,14H,6-11,17H2,1H3;1H2
InChIKeyOVTJWNBDISOGKZ-UHFFFAOYSA-N
XLogP1.32
TPSA65.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate?
The IUPAC name of 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate (CID 21128537) is 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate.
What is the SMILES notation for 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate?
The canonical SMILES for 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate is Cn1cc(CCN2CCC(N)CC2)c2ccccc21.O.
What is the InChIKey of 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate?
The InChIKey is OVTJWNBDISOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.H2O/c1-18-12-13(15-4-2-3-5-16(15)18)6-9-19-10-7-14(17)8-11-19;/h2-5,12,14H,6-11,17H2,1H3;1H2.
What are the key properties of 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate?
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate has a molecular weight of 275.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate is sourced from PubChem (CID 21128537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).