N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine

C15H21N3O — CID 62990035

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCc2ccnc(OC)c2)CC1
InChIInChI=1S/C15H21N3O/c1-3-8-18-9-5-14(6-10-18)17-12-13-4-7-16-15(11-13)19-2/h1,4,7,11,14,17H,5-6,8-10,12H2,2H3
InChIKeyTWIAFVQZHARTGK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.28
Rot. Bonds5

About N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine

N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 62990035) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID62990035
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCc2ccnc(OC)c2)CC1
InChIInChI=1S/C15H21N3O/c1-3-8-18-9-5-14(6-10-18)17-12-13-4-7-16-15(11-13)19-2/h1,4,7,11,14,17H,5-6,8-10,12H2,2H3
InChIKeyTWIAFVQZHARTGK-UHFFFAOYSA-N
XLogP1.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine
CID 176549679
1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 54943739
N-[[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 62291856
N-[(2-methoxy-4-pyridinyl)methyl]cyclohex-2-en-1-amine
CID 107906947
1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62881993
3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62991827
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019801
1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
CID 81333275
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81298226

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine (CID 62990035) is N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCc2ccnc(OC)c2)CC1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is TWIAFVQZHARTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-8-18-9-5-14(6-10-18)17-12-13-4-7-16-15(11-13)19-2/h1,4,7,11,14,17H,5-6,8-10,12H2,2H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine?
N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 259.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 62990035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).