N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine

C14H30N2O — CID 169214901

IUPACN,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine
SMILESCC(C)CN1CCC(OCCCN(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)12-16-9-6-14(7-10-16)17-11-5-8-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyIKMAXCMJUDKFLZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.08
Rot. Bonds7

About N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine

N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 169214901) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID169214901
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine
SMILESCC(C)CN1CCC(OCCCN(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)12-16-9-6-14(7-10-16)17-11-5-8-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyIKMAXCMJUDKFLZ-UHFFFAOYSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 167687218
N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine
CID 155455465
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
(E)-1-[4-[3-(dimethylamino)propoxy]piperidin-1-yl]-3-methylpent-2-en-1-one
CID 122151526
5-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxypentane-2-thiol
CID 167243371
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 107094063
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
CID 79735235
1-[4-(2-aminoethoxy)piperidin-1-yl]propan-2-ol
CID 82693746
N,N-dimethyl-3-(1-pyridin-2-ylpiperidin-4-yl)oxypropan-1-amine
CID 71978658
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
N-[4-[3-(dimethylamino)propoxy]cyclohexylidene]hydroxylamine
CID 114525515

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine (CID 169214901) is N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine is CC(C)CN1CCC(OCCCN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is IKMAXCMJUDKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)12-16-9-6-14(7-10-16)17-11-5-8-15(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine?
N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 169214901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).