N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C16H27N3 — CID 83011231

IUPACN-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)NN2CCCCC2)cc1
InChIInChI=1S/C16H27N3/c1-13(2)14-6-8-15(9-7-14)16(12-17)18-19-10-4-3-5-11-19/h6-9,13,16,18H,3-5,10-12,17H2,1-2H3
InChIKeyITHMTVRLYBVRDU-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.80
Rot. Bonds5

About N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 83011231) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID83011231
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)NN2CCCCC2)cc1
InChIInChI=1S/C16H27N3/c1-13(2)14-6-8-15(9-7-14)16(12-17)18-19-10-4-3-5-11-19/h6-9,13,16,18H,3-5,10-12,17H2,1-2H3
InChIKeyITHMTVRLYBVRDU-UHFFFAOYSA-N
XLogP2.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 83011231) is N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CC(C)c1ccc(C(CN)NN2CCCCC2)cc1.
What is the InChIKey of N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is ITHMTVRLYBVRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)14-6-8-15(9-7-14)16(12-17)18-19-10-4-3-5-11-19/h6-9,13,16,18H,3-5,10-12,17H2,1-2H3.
What are the key properties of N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 83011231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).