1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine

C14H30N2O — CID 65049481

IUPAC1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(COC)C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-5-8-15-13-6-9-16(10-7-13)14(11-17-4)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyJIOLLRBJQZKRHI-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine

1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine (PubChem CID 65049481) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine
PubChem CID65049481
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(COC)C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-5-8-15-13-6-9-16(10-7-13)14(11-17-4)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeyJIOLLRBJQZKRHI-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybutan-2-yl)-N-propylpiperidin-4-amine
CID 64605073
1-(5-methylhexan-2-yl)-N-propylpiperidin-4-amine
CID 63925487
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
1-(4-methoxybutan-2-yl)-N-propylpiperidin-3-amine
CID 64605758
N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine
CID 137396264
N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine
CID 65049371
1-(2-methylbutyl)-N-propylpiperidin-4-amine
CID 62105656
N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide
CID 60818780
N-propyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860638
2-[4-(propylamino)piperidin-1-yl]ethanol
CID 60818603
1-hexan-3-yl-N-propylpyrrolidin-3-amine
CID 62119500
N-(3-methylhexyl)-1-propan-2-ylpiperidin-4-amine
CID 139366254

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine (CID 65049481) is 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine is CCCNC1CCN(C(COC)C(C)C)CC1.
What is the InChIKey of 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine?
The InChIKey is JIOLLRBJQZKRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-8-15-13-6-9-16(10-7-13)14(11-17-4)12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine?
1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylbutan-2-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 65049481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).