1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine

C17H27N3 — CID 106820716

IUPAC1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN(C1CCN(c2ccccc2)CC1)C(CN)C1CC1
InChIInChI=1S/C17H27N3/c1-19(17(13-18)14-7-8-14)15-9-11-20(12-10-15)16-5-3-2-4-6-16/h2-6,14-15,17H,7-13,18H2,1H3
InChIKeyBWUCHUBUHWZCQU-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.32
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 106820716) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID106820716
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN(C1CCN(c2ccccc2)CC1)C(CN)C1CC1
InChIInChI=1S/C17H27N3/c1-19(17(13-18)14-7-8-14)15-9-11-20(12-10-15)16-5-3-2-4-6-16/h2-6,14-15,17H,7-13,18H2,1H3
InChIKeyBWUCHUBUHWZCQU-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine (CID 106820716) is 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine is CN(C1CCN(c2ccccc2)CC1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is BWUCHUBUHWZCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19(17(13-18)14-7-8-14)15-9-11-20(12-10-15)16-5-3-2-4-6-16/h2-6,14-15,17H,7-13,18H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 106820716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).