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

C15H30N2O — CID 134505379

IUPACN-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine
SMILESCC(C)N1CCC(C)(CNC2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)17-8-6-15(3,7-9-17)12-16-14-4-10-18-11-5-14/h13-14,16H,4-12H2,1-3H3
InChIKeyHCWLNHQGFHFMGV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds4

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

N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine (PubChem CID 134505379) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine
PubChem CID134505379
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine
SMILESCC(C)N1CCC(C)(CNC2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)17-8-6-15(3,7-9-17)12-16-14-4-10-18-11-5-14/h13-14,16H,4-12H2,1-3H3
InChIKeyHCWLNHQGFHFMGV-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyl-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 43611272
3-Oxa-9-azaspiro[5.5]undecane
CID 39871984
[1-(Oxan-4-yl)piperidin-4-yl]methanamine
CID 53256416
1-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 43608634
1-Methyl-9-oxa-1,4-diazaspiro(5.5)undecane
CID 82412329
N-isopentyl-N-(4-piperidyl)-N-tetrahydro-2H-pyran-4-ylamine
CID 91916173
1-[(Oxan-4-yl)methyl]piperidin-4-amine
CID 53256375
N-tert-butyl-1-[(3R,4R)-3-fluorooxan-4-yl]piperidin-4-amine
CID 158604250
N-tert-butyl-1-(3-fluorooxan-4-yl)piperidin-4-amine
CID 166157685
1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine
CID 167249154
3-fluoro-1-(oxan-4-yl)-N-propan-2-ylpiperidin-4-amine
CID 169632611
(3S)-3-fluoro-1-(oxan-4-yl)-N-propan-2-ylpiperidin-4-amine
CID 169632620

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine (CID 134505379) is N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine is CC(C)N1CCC(C)(CNC2CCOCC2)CC1.
What is the InChIKey of N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine?
The InChIKey is HCWLNHQGFHFMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)17-8-6-15(3,7-9-17)12-16-14-4-10-18-11-5-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine?
N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 134505379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).