N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

C20H42N4O — CID 138626153

IUPACN-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N(C)CCOCC(C)N2CCCC(CN)C2)CC1
InChIInChI=1S/C20H42N4O/c1-17(2)23-10-7-20(8-11-23)22(4)12-13-25-16-18(3)24-9-5-6-19(14-21)15-24/h17-20H,5-16,21H2,1-4H3
InChIKeyPDSJEDZTSZGRAH-UHFFFAOYSA-N
MW354.58 g/mol
LogP1.87
Rot. Bonds9

About N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine

N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 138626153) has the molecular formula C20H42N4O and a molecular weight of 354.58 g/mol. Its IUPAC name is N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
PubChem CID138626153
Molecular FormulaC20H42N4O
Molecular Weight354.58 g/mol
Exact Mass354.34
IUPAC NameN-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N(C)CCOCC(C)N2CCCC(CN)C2)CC1
InChIInChI=1S/C20H42N4O/c1-17(2)23-10-7-20(8-11-23)22(4)12-13-25-16-18(3)24-9-5-6-19(14-21)15-24/h17-20H,5-16,21H2,1-4H3
InChIKeyPDSJEDZTSZGRAH-UHFFFAOYSA-N
XLogP1.87
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine (CID 138626153) is N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N(C)CCOCC(C)N2CCCC(CN)C2)CC1.
What is the InChIKey of N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is PDSJEDZTSZGRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4O/c1-17(2)23-10-7-20(8-11-23)22(4)12-13-25-16-18(3)24-9-5-6-19(14-21)15-24/h17-20H,5-16,21H2,1-4H3.
What are the key properties of N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine?
N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 354.58 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(aminomethyl)piperidin-1-yl]propoxy]ethyl]-N-methyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 138626153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).