N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine

C14H28N2O — CID 80550533

IUPACN-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(COC)C2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-3-15-10-12-6-8-16(9-7-12)14(11-17-2)13-4-5-13/h12-15H,3-11H2,1-2H3
InChIKeyXGDXEMMBNYJYIO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds7

About N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 80550533) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID80550533
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(COC)C2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-3-15-10-12-6-8-16(9-7-12)14(11-17-2)13-4-5-13/h12-15H,3-11H2,1-2H3
InChIKeyXGDXEMMBNYJYIO-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
CID 103465126
1-[1-(1-cyclopropylpropyl)piperidin-4-yl]-N-methylmethanamine
CID 64918682
N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513073
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
N-ethyl-3-methoxy-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503315
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
4-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)piperidine-1-sulfonamide
CID 106068439
N-carbamoyl-2-[4-(ethylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119928173
1-cyclopentyl-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 103160901
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine (CID 80550533) is N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(C(COC)C2CC2)CC1.
What is the InChIKey of N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is XGDXEMMBNYJYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-15-10-12-6-8-16(9-7-12)14(11-17-2)13-4-5-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cyclopropyl-2-methoxyethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 80550533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).