N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine

C14H30N2O — CID 106007547

IUPACN-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCNCC1CCCN(C)C1
InChIInChI=1S/C14H30N2O/c1-13(2)17-10-5-4-8-15-11-14-7-6-9-16(3)12-14/h13-15H,4-12H2,1-3H3
InChIKeyPUPOADNTXLGMHB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

About N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine

N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine (PubChem CID 106007547) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
PubChem CID106007547
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCNCC1CCCN(C)C1
InChIInChI=1S/C14H30N2O/c1-13(2)17-10-5-4-8-15-11-14-7-6-9-16(3)12-14/h13-15H,4-12H2,1-3H3
InChIKeyPUPOADNTXLGMHB-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
1-methyl-3-(2-propan-2-yloxyethyl)piperidine
CID 169034936
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 65175607

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine (CID 106007547) is N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine is CC(C)OCCCCNCC1CCCN(C)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine?
The InChIKey is PUPOADNTXLGMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)17-10-5-4-8-15-11-14-7-6-9-16(3)12-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine?
N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 106007547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).