N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine

C18H37N3 — CID 103776314

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCCCN2CCC(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)15-21-13-7-18(8-14-21)19-9-4-10-20-11-5-17(3)6-12-20/h16-19H,4-15H2,1-3H3
InChIKeyFSWTXYRJTCLJBC-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds7

About N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine

N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103776314) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103776314
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCCCN2CCC(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)15-21-13-7-18(8-14-21)19-9-4-10-20-11-5-17(3)6-12-20/h16-19H,4-15H2,1-3H3
InChIKeyFSWTXYRJTCLJBC-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
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

3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine
CID 104859624
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopropanamine
CID 62773117
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
1-(2-methylpropyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 103779495
N-(2-ethylsulfonylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103780918
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464
N',N'-diethyl-N-[1-(2-methylpropyl)piperidin-4-yl]ethane-1,2-diamine
CID 103775624
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
CID 62871060

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine (CID 103776314) is N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine is CC(C)CN1CCC(NCCCN2CCC(C)CC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is FSWTXYRJTCLJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2)15-21-13-7-18(8-14-21)19-9-4-10-20-11-5-17(3)6-12-20/h16-19H,4-15H2,1-3H3.
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103776314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).