N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine

C12H22N2O — CID 115896869

IUPACN-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine
SMILESCC#CCNC1CCN(CCOC)CC1
InChIInChI=1S/C12H22N2O/c1-3-4-7-13-12-5-8-14(9-6-12)10-11-15-2/h12-13H,5-11H2,1-2H3
InChIKeyOLNAAARZPNIEQP-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.71
Rot. Bonds5

About N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine

N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine (PubChem CID 115896869) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine
PubChem CID115896869
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine
SMILESCC#CCNC1CCN(CCOC)CC1
InChIInChI=1S/C12H22N2O/c1-3-4-7-13-12-5-8-14(9-6-12)10-11-15-2/h12-13H,5-11H2,1-2H3
InChIKeyOLNAAARZPNIEQP-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-1-methylpiperidin-4-amine
CID 62310337
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
CID 115901593
3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
CID 115705235
N-[1-(2-methoxyethyl)piperidin-4-yl]-N',N'-dipropylethane-1,2-diamine
CID 137396264
N-tert-butyl-1-(2-methoxyethyl)piperidin-4-amine
CID 58365048
1-(2-aminoethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 117027502
1-(2-methoxyethyl)-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 115707229
1-(2-methoxyethyl)-N-(3-methylcyclobutyl)piperidin-4-amine
CID 115892313
N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103181632
4-iodo-1-(2-methoxyethyl)piperidine
CID 126716491
4-bromo-1-(2-methoxyethyl)piperidine
CID 80679814

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine (CID 115896869) is N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine is CC#CCNC1CCN(CCOC)CC1.
What is the InChIKey of N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is OLNAAARZPNIEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-7-13-12-5-8-14(9-6-12)10-11-15-2/h12-13H,5-11H2,1-2H3.
What are the key properties of N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine?
N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 210.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-1-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 115896869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).