3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine

C14H30N2O — CID 102968014

IUPAC3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCOC1CN(C(C)CCNC(C)C)CCC1C
InChIInChI=1S/C14H30N2O/c1-11(2)15-8-6-13(4)16-9-7-12(3)14(10-16)17-5/h11-15H,6-10H2,1-5H3
InChIKeyHTBPZRNBEAVWHQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine

3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 102968014) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine
PubChem CID102968014
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCOC1CN(C(C)CCNC(C)C)CCC1C
InChIInChI=1S/C14H30N2O/c1-11(2)15-8-6-13(4)16-9-7-12(3)14(10-16)17-5/h11-15H,6-10H2,1-5H3
InChIKeyHTBPZRNBEAVWHQ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 102968987
3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 102967905
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
CID 62418445
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 102967967
3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 55069047
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
CID 102960462
3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
CID 102971673
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007603
3-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
3-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylpropan-1-amine
CID 103227407
3-(3-methoxypyrrolidin-1-yl)-N-methylbutan-1-amine
CID 103539768
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62413169

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine (CID 102968014) is 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine is COC1CN(C(C)CCNC(C)C)CCC1C.
What is the InChIKey of 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is HTBPZRNBEAVWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)15-8-6-13(4)16-9-7-12(3)14(10-16)17-5/h11-15H,6-10H2,1-5H3.
What are the key properties of 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine?
3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102968014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).