N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

C17H35N3O — CID 63007462

IUPACN-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESCOCCCNCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H35N3O/c1-16(14-18-8-5-13-21-2)20-11-6-17(7-12-20)15-19-9-3-4-10-19/h16-18H,3-15H2,1-2H3
InChIKeyMHXIBTYJHJZMIY-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.81
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (PubChem CID 63007462) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
PubChem CID63007462
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESCOCCCNCC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C17H35N3O/c1-16(14-18-8-5-13-21-2)20-11-6-17(7-12-20)15-19-9-3-4-10-19/h16-18H,3-15H2,1-2H3
InChIKeyMHXIBTYJHJZMIY-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.81
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-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
N-(3-methoxypropyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 62556427
N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine
CID 114238400
2-(4,4-dimethylazepan-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 65286526
N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009405
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propyl]cyclopentanamine
CID 63009402
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007603
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
CID 63167885
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
CID 64720827
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-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (CID 63007462) is N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is COCCCNCC(C)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is MHXIBTYJHJZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-16(14-18-8-5-13-21-2)20-11-6-17(7-12-20)15-19-9-3-4-10-19/h16-18H,3-15H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 63007462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).