N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine

C15H32N2O — CID 63977571

IUPACN-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
SMILESCOCC1CCN(CCCCNC(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-15(2,3)16-9-5-6-10-17-11-7-14(8-12-17)13-18-4/h14,16H,5-13H2,1-4H3
InChIKeyJFYGSVPMPXDXHU-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine

N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine (PubChem CID 63977571) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
PubChem CID63977571
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
SMILESCOCC1CCN(CCCCNC(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-15(2,3)16-9-5-6-10-17-11-7-14(8-12-17)13-18-4/h14,16H,5-13H2,1-4H3
InChIKeyJFYGSVPMPXDXHU-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238299
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 62091294
4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
CID 63848432
6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine
CID 63973848
2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 63973536
2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 63972004
1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine
CID 60851538
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine (CID 63977571) is N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine is COCC1CCN(CCCCNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine?
The InChIKey is JFYGSVPMPXDXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-15(2,3)16-9-5-6-10-17-11-7-14(8-12-17)13-18-4/h14,16H,5-13H2,1-4H3.
What are the key properties of N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine?
N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 63977571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).