N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

C16H33N3O — CID 63009404

IUPACN-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESCOCCNCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3O/c1-15(13-17-7-12-20-2)19-10-5-16(6-11-19)14-18-8-3-4-9-18/h15-17H,3-14H2,1-2H3
InChIKeyAWBYYZXKHMHREF-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds8

About N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (PubChem CID 63009404) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
PubChem CID63009404
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESCOCCNCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3O/c1-15(13-17-7-12-20-2)19-10-5-16(6-11-19)14-18-8-3-4-9-18/h15-17H,3-14H2,1-2H3
InChIKeyAWBYYZXKHMHREF-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.42
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-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63007462
N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009405
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propyl]cyclopentanamine
CID 63009402
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 65459890
N-(3-methoxypropyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 62556427
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007603
1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63167781
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
CID 64720827
2-(4-tert-butylpiperazin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569252
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
CID 64706192

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (CID 63009404) is N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is COCCNCC(C)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is AWBYYZXKHMHREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(13-17-7-12-20-2)19-10-5-16(6-11-19)14-18-8-3-4-9-18/h15-17H,3-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 63009404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).