3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine

C14H28N2O — CID 79731758

IUPAC3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine
SMILESCC1CCC(N2CCC(OCCCN)CC2)C1
InChIInChI=1S/C14H28N2O/c1-12-3-4-13(11-12)16-8-5-14(6-9-16)17-10-2-7-15/h12-14H,2-11,15H2,1H3
InChIKeyNYWQZTSIJOCTOW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds5

About 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79731758) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79731758
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine
SMILESCC1CCC(N2CCC(OCCCN)CC2)C1
InChIInChI=1S/C14H28N2O/c1-12-3-4-13(11-12)16-8-5-14(6-9-16)17-10-2-7-15/h12-14H,2-11,15H2,1H3
InChIKeyNYWQZTSIJOCTOW-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
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-[1-(1-methylazepan-4-yl)piperidin-4-yl]oxypropan-1-amine
CID 79732816
4-[4-(3-aminopropoxy)piperidin-1-yl]azepan-2-one
CID 79737363
ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate
CID 79736574
4-[(1R,3S)-3-methylcyclopentyl]morpholine
CID 7448488
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119661802
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
3-(1-butylsulfonylpiperidin-4-yl)oxypropan-1-amine;hydrochloride
CID 119992515
(4-butoxypiperidin-1-yl)methanamine
CID 142616316
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine (CID 79731758) is 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine is CC1CCC(N2CCC(OCCCN)CC2)C1.
What is the InChIKey of 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is NYWQZTSIJOCTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-3-4-13(11-12)16-8-5-14(6-9-16)17-10-2-7-15/h12-14H,2-11,15H2,1H3.
What are the key properties of 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylcyclopentyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79731758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).