N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C17H34N2O — CID 62258098

IUPACN-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCCCC1CCN(CC2(CNC(C)C)CCOC2)CC1
InChIInChI=1S/C17H34N2O/c1-4-5-16-6-9-19(10-7-16)13-17(8-11-20-14-17)12-18-15(2)3/h15-16,18H,4-14H2,1-3H3
InChIKeyMKLIVMCFUXTDQO-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds7

About N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62258098) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62258098
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCCCC1CCN(CC2(CNC(C)C)CCOC2)CC1
InChIInChI=1S/C17H34N2O/c1-4-5-16-6-9-19(10-7-16)13-17(8-11-20-14-17)12-18-15(2)3/h15-16,18H,4-14H2,1-3H3
InChIKeyMKLIVMCFUXTDQO-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63494206
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55249798
N-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62392876
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63742224
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740811
N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740115
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63003825
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392915
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114539648
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258067
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051462
[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methanol
CID 55055613

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62258098) is N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CCCC1CCN(CC2(CNC(C)C)CCOC2)CC1.
What is the InChIKey of N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is MKLIVMCFUXTDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-5-16-6-9-19(10-7-16)13-17(8-11-20-14-17)12-18-15(2)3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62258098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).