[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine

C15H29N3O — CID 63167470

IUPAC[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCC(N3CCCCC3)C2)O1
InChIInChI=1S/C15H29N3O/c16-10-14-4-5-15(19-14)12-17-9-6-13(11-17)18-7-2-1-3-8-18/h13-15H,1-12,16H2
InChIKeyFQGHEYACFCMDLQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.05
Rot. Bonds4

About [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine

[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 63167470) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID63167470
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCC(N3CCCCC3)C2)O1
InChIInChI=1S/C15H29N3O/c16-10-14-4-5-15(19-14)12-17-9-6-13(11-17)18-7-2-1-3-8-18/h13-15H,1-12,16H2
InChIKeyFQGHEYACFCMDLQ-UHFFFAOYSA-N
XLogP1.05
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 66008849
N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 63151702
[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methanamine
CID 62974112
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 63170529
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxolane-2-carbohydrazide
CID 79925472
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79519722
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 63169189
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)cycloheptan-1-amine
CID 79924657
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586

Frequently Asked Questions

What is the IUPAC name of [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine (CID 63167470) is [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine is NCC1CCC(CN2CCC(N3CCCCC3)C2)O1.
What is the InChIKey of [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is FQGHEYACFCMDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c16-10-14-4-5-15(19-14)12-17-9-6-13(11-17)18-7-2-1-3-8-18/h13-15H,1-12,16H2.
What are the key properties of [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine?
[5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 267.42 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 63167470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).