[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

C14H29N3O — CID 103531579

IUPAC[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCOC1CCN(C2(CN)CCN(C(C)C)CC2)C1
InChIInChI=1S/C14H29N3O/c1-12(2)16-8-5-14(11-15,6-9-16)17-7-4-13(10-17)18-3/h12-13H,4-11,15H2,1-3H3
InChIKeyLSJAAZFTUCCIFN-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds4

About [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (PubChem CID 103531579) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
PubChem CID103531579
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCOC1CCN(C2(CN)CCN(C(C)C)CC2)C1
InChIInChI=1S/C14H29N3O/c1-12(2)16-8-5-14(11-15,6-9-16)17-7-4-13(10-17)18-3/h12-13H,4-11,15H2,1-3H3
InChIKeyLSJAAZFTUCCIFN-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078662
[3-(3-methoxypyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 103531486
1-[4-(aminomethyl)-1-propan-2-ylazepan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 65078068
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
CID 130546872
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147
[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65283742
[1-ethyl-4-(4-methoxypiperidin-1-yl)azepan-4-yl]methanamine
CID 65078802
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 107454254
[4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine
CID 130546873
[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872732
[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
CID 114537561

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (CID 103531579) is [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is COC1CCN(C2(CN)CCN(C(C)C)CC2)C1.
What is the InChIKey of [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The InChIKey is LSJAAZFTUCCIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)16-8-5-14(11-15,6-9-16)17-7-4-13(10-17)18-3/h12-13H,4-11,15H2,1-3H3.
What are the key properties of [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is sourced from PubChem (CID 103531579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).