N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C20H25N3O2 — CID 138044549

IUPACN-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ccc(OC4COC4)cc3)CC2)nc1
InChIInChI=1S/C20H25N3O2/c1-2-10-21-18(3-1)13-23-11-8-17(9-12-23)22-16-4-6-19(7-5-16)25-20-14-24-15-20/h1-7,10,17,20,22H,8-9,11-15H2
InChIKeyODTCOCYIFFDFOJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.94
Rot. Bonds6

About N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 138044549) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID138044549
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ccc(OC4COC4)cc3)CC2)nc1
InChIInChI=1S/C20H25N3O2/c1-2-10-21-18(3-1)13-23-11-8-17(9-12-23)22-16-4-6-19(7-5-16)25-20-14-24-15-20/h1-7,10,17,20,22H,8-9,11-15H2
InChIKeyODTCOCYIFFDFOJ-UHFFFAOYSA-N
XLogP2.94
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 56708226
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,8-naphthyridin-2-amine
CID 167808422
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-methyl-N-(oxan-4-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25279804
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine
CID 56886415
[(3S)-3-cyclohexylpyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42522345

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 138044549) is N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is c1ccc(CN2CCC(Nc3ccc(OC4COC4)cc3)CC2)nc1.
What is the InChIKey of N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is ODTCOCYIFFDFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-10-21-18(3-1)13-23-11-8-17(9-12-23)22-16-4-6-19(7-5-16)25-20-14-24-15-20/h1-7,10,17,20,22H,8-9,11-15H2.
What are the key properties of N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxetan-3-yloxy)phenyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 138044549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).