N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

C16H32N2O — CID 55066136

IUPACN-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC1CCCN(CC2(CNC(C)C)CCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-16(6-9-19-10-7-16)13-18-8-4-5-15(3)11-18/h14-15,17H,4-13H2,1-3H3
InChIKeyUXQOJTGCKMKEKD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds5

About N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine

N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 55066136) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID55066136
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC1CCCN(CC2(CNC(C)C)CCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-16(6-9-19-10-7-16)13-18-8-4-5-15(3)11-18/h14-15,17H,4-13H2,1-3H3
InChIKeyUXQOJTGCKMKEKD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
CID 114682037
[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391715
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55249798
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392915
(3R)-3-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidine
CID 167196358
N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 107395205
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756110
N-[[3-[(3,4,5-trimethylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114539648
N-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 55051948
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
2-[1-[[4-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 114800043

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine (CID 55066136) is N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is CC1CCCN(CC2(CNC(C)C)CCOCC2)C1.
What is the InChIKey of N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is UXQOJTGCKMKEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)17-12-16(6-9-19-10-7-16)13-18-8-4-5-15(3)11-18/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine?
N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55066136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).