N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine

C16H32N2O — CID 65161095

IUPACN-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CCCC2CCCO2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-15-6-3-9-18(13-15)10-4-7-16-8-5-11-19-16/h14-17H,3-13H2,1-2H3
InChIKeyIIFPCPQBYCLUFS-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine

N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 65161095) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID65161095
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CCCC2CCCO2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-15-6-3-9-18(13-15)10-4-7-16-8-5-11-19-16/h14-17H,3-13H2,1-2H3
InChIKeyIIFPCPQBYCLUFS-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methanol
CID 65166006
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
CID 65165279
N-ethyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]ethanamine
CID 65159249
N-[[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513685
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 65160987
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 65161038
5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 55176008
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine (CID 65161095) is N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(CCCC2CCCO2)C1.
What is the InChIKey of N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is IIFPCPQBYCLUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)17-12-15-6-3-9-18(13-15)10-4-7-16-8-5-11-19-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 65161095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).