N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine

C15H32N2O2 — CID 103410145

IUPACN-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCOCCOCCCN1CCC(CNC(C)C)CC1
InChIInChI=1S/C15H32N2O2/c1-14(2)16-13-15-5-8-17(9-6-15)7-4-10-19-12-11-18-3/h14-16H,4-13H2,1-3H3
InChIKeyJQODOQJEKVAHJY-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds10

About N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine

N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 103410145) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID103410145
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCOCCOCCCN1CCC(CNC(C)C)CC1
InChIInChI=1S/C15H32N2O2/c1-14(2)16-13-15-5-8-17(9-6-15)7-4-10-19-12-11-18-3/h14-16H,4-13H2,1-3H3
InChIKeyJQODOQJEKVAHJY-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
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
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 155740209
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567260
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63828603
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 114476807
1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one
CID 176581495

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine (CID 103410145) is N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine is COCCOCCCN1CCC(CNC(C)C)CC1.
What is the InChIKey of N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is JQODOQJEKVAHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-14(2)16-13-15-5-8-17(9-6-15)7-4-10-19-12-11-18-3/h14-16H,4-13H2,1-3H3.
What are the key properties of N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine?
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 103410145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).