N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine

C15H30N2O2 — CID 103181632

IUPACN-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
SMILESCOCCCOCCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H30N2O2/c1-18-10-2-11-19-12-9-17-7-5-15(6-8-17)16-13-14-3-4-14/h14-16H,2-13H2,1H3
InChIKeyHVTYOLHTQWRDRE-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds10

About N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine (PubChem CID 103181632) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
PubChem CID103181632
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
SMILESCOCCCOCCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H30N2O2/c1-18-10-2-11-19-12-9-17-7-5-15(6-8-17)16-13-14-3-4-14/h14-16H,2-13H2,1H3
InChIKeyHVTYOLHTQWRDRE-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]cyclopropanamine
CID 103410146
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
CID 115307344
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
CID 103178542
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
CID 106453510
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
CID 115705235
5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile
CID 115307297
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine (CID 103181632) is N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine is COCCCOCCN1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine?
The InChIKey is HVTYOLHTQWRDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-18-10-2-11-19-12-9-17-7-5-15(6-8-17)16-13-14-3-4-14/h14-16H,2-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 103181632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).