N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine

C16H34N4O2 — CID 155419732

IUPACN-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine
SMILESCOC1CC(C)CN(NCC2CC(OC(C)C)CN(N)C2)C1
InChIInChI=1S/C16H34N4O2/c1-12(2)22-16-6-14(9-19(17)10-16)7-18-20-8-13(3)5-15(11-20)21-4/h12-16,18H,5-11,17H2,1-4H3
InChIKeyPATAMSJPZILHHJ-UHFFFAOYSA-N
MW314.47 g/mol
LogP0.84
Rot. Bonds6

About N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine

N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine (PubChem CID 155419732) has the molecular formula C16H34N4O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine.

Molecular Properties

Compound NameN-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine
PubChem CID155419732
Molecular FormulaC16H34N4O2
Molecular Weight314.47 g/mol
Exact Mass314.27
IUPAC NameN-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine
SMILESCOC1CC(C)CN(NCC2CC(OC(C)C)CN(N)C2)C1
InChIInChI=1S/C16H34N4O2/c1-12(2)22-16-6-14(9-19(17)10-16)7-18-20-8-13(3)5-15(11-20)21-4/h12-16,18H,5-11,17H2,1-4H3
InChIKeyPATAMSJPZILHHJ-UHFFFAOYSA-N
XLogP0.84
TPSA62.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine
CID 142353927
cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
3-methoxy-1,5-dimethylpiperidine
CID 91354992
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524
ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol
CID 142353909
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
1-hydroxy-3-methoxy-5-propan-2-ylpiperidine
CID 139505715
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522
(3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine
CID 167562526
1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
CID 99830189
(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
CID 126985147
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine?
The IUPAC name of N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine (CID 155419732) is N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine.
What is the SMILES notation for N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine?
The canonical SMILES for N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine is COC1CC(C)CN(NCC2CC(OC(C)C)CN(N)C2)C1.
What is the InChIKey of N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine?
The InChIKey is PATAMSJPZILHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2/c1-12(2)22-16-6-14(9-19(17)10-16)7-18-20-8-13(3)5-15(11-20)21-4/h12-16,18H,5-11,17H2,1-4H3.
What are the key properties of N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine?
N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine has a molecular weight of 314.47 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-5-propan-2-yloxypiperidin-3-yl)methyl]-3-methoxy-5-methylpiperidin-1-amine is sourced from PubChem (CID 155419732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).